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光的衍射
假設入射波為平面波, $\psi _{inc}(\mathbf {r} ')=E_{0}e^{ikz'}$ ,孔隙 $\mathbb {S} $ 處於 xy - 平面,則在孔隙 $\mathbb {S} $ 內,入射波為 $\psi _{inc}({\boldsymbol {\rho }}')=E_{0}$ ,估算的繞射波為   : $\psi (\mathbf {r} )=CE_{0}\int _{\mathbb {S} }{\frac {e^{ik|\mathbf {r} -{\boldsymbol {\rho }}'|}}{|\mathbf {r} -{\boldsymbol {\rho }}'|}}\,\mathrm {d} \sigma '$ 這裏,波源位置 ${\boldsymbol {\rho }}'=(x',y',0)$ 。 假設孔隙是半徑為 $a$ 的圓孔,孔心是 xy - 平面的原點,檢驗位置是在遠場區域, $r\gg a$ ,則 $|\mathbf {r} -{\boldsymbol {\rho }}'|$ 可以近似為 $r-{\hat {\mathbf {r} }}\cdot {\boldsymbol {\rho }}'$ ,其中 ${\hat {\mathbf {r} }}$ 是 $\mathbf {r} $ 的單位向量。繞射波為:490-495   : ${\begin{aligned}\psi (\mathbf {r} )&\approx CE_{0}{\frac {e^{ikr}}{r}}\int _{\mathbb {S} }e^{-ik{\hat {\mathbf {r} }}\cdot {\boldsymbol {\rho }}'}\,\mathrm {d} \sigma '\\&=CE_{0}{\frac {e^{ikr}}{r}}\int _{0}^{a}\int _{0}^{2\pi }e^{-ik\rho '\sin {\theta }\cos {(\phi -\phi ')}}\,\rho '\mathrm {d} \phi '\mathrm {d} \rho '\\&=2\pi a^{2}CE_{0}{\frac {e^{ikr}}{r}}\ {\frac {J_{1}(ka\sin {\theta })}{ka\sin {\theta }}}\\\end{aligned}}$
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光的衍射
這裏, $J_{i}(ka\sin {\theta })$ 是第一類 $i$ 階貝索函數, $\mathbf {r} $ 的球坐標為 $(r,\theta ,\phi )$ 。 假射觀察屏在遠場區域,則照射於觀察屏的干涉圖樣,其鄰近中央位置的任意點 P 與原點 $\mathbf {O} $ 之間的距離 $r$ ,可以近似為觀察屏與原點 $\mathbf {O} $ 之間的垂直距離 $L$ ,繞射波在觀察屏的輻照度為:467-471   : $I(\theta )=\psi ^{*}\psi /2=I_{0}\left[{\frac {2J_{1}(ka\sin {\theta })}{ka\sin {\theta }}}\right]^{2}$ 這裏, $I_{0}$ 是繞射波在干涉圖樣中央位置的輻照度。 更詳細運算,應用格林第二恆等式,可以得到德國物理學者古斯塔夫・克希荷夫提出的克希荷夫積分定理的方程式:510-512   : ${\begin{aligned}\psi (\mathbf {r} )&={\frac {1}{4\pi }}\int _{\mathbb {S} }\left[\psi (\mathbf {r} ')\nabla \left({\frac {e^{ikR}}{R}}\right)-{\frac {e^{ikR}}{R}}\nabla \psi (\mathbf {r} ')\right]\cdot \,\mathrm {d} {\boldsymbol {\sigma }}'\\&=-\ {\frac {1}{4\pi }}\int _{\mathbb {S} }\left({\frac {e^{ikR}}{R}}\right)\left[\nabla \psi (\mathbf {r} ')+ik\left(1+{\frac {i}{kR}}\right){\hat {\mathbf {R} }}\psi (\mathbf {r} ')\right]\cdot \,\mathrm {d} {\boldsymbol {\sigma }}'\qquad \qquad \qquad \qquad (2)\\\end{aligned}}$ 這裏, $\mathbf {R} =\mathbf {r} -\mathbf {r} '$ 是從源位置到檢驗位置的位移向量。 ### 雷射的繞射
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光的衍射
雷射是一種特殊的可見光,具有極高單色性、定向性、相干性和能量強度。:354-355 在理想的情況里,雷射束是一種高斯光束。在右邊的示意圖中,如果定義輻照度在半徑為 $\mathbf {\omega _{0}} $ 的位置減少為光軸輻照度的 $1/e$ ,那麼距離雷射光軸半徑為 $\mathbf {r} $ 處的雷射場強 $\mathbf {E_{s}} $ 滿足高斯光束(Gaussian beam)分布,即   : $\mathbf {E_{s}} =\mathbf {E_{0}} \exp \left(-{\frac {|\mathbf {r} |^{2}}{\mathbf {\omega _{0}} ^{2}}}\right)$ 當雷射穿過發光系統的鏡片後,它的高斯光束參數 $\mathbf {\omega _{0}} $ 將發生改變。雷射源的輸出鏡片通常是一個孔隙,因此隨後輸出的光波形狀是由這個孔隙決定。雷射束的直徑越大,其彎散程度越弱。 雷射束的發散可以調低。將中央軸同線的兩個凸透鏡排列在一起,兩個凸透鏡之間的距離 $d$ 等於它們各自的焦距 $f_{1}$ 、 $f_{2}$ 的代數和:   : $d=f_{1}+f_{2}$ 這種複合透鏡組合,前焦距與後焦距都是無窮遠,是一種無焦光學系統(afocal optical system),由於兩個凸透鏡的焦點重疊在一起,是一種共焦(confocal)雙透鏡系統。這組合也是克卜勒望遠鏡的基本構造。從前面照射進來的準直光束,透過這複合透鏡組合,從後面照射出去也是準直光束,並且截面會增加。這樣,可以調低雷射束的發散。:38-39 另外,使用雷射筆等雷射器件照射物體時,常常會產生不希望得到的散斑圖樣(speckle pattern)。這是另一種繞射現象。當雷射束照射在粗糙界面上時,由於光束以不同路徑傳播,不同相位波彼此疊加,會產生振幅、輻照度隨機分布的波。 ### 繞射對於光學系統解析度的制約 光學成像系統的成像質量或多或少都受到繞射的制約。其原因是,入射光在圓形鏡片處會發生繞射,形成艾里斑,從而造成光路不能夠匯聚到一個點。繞射對成像的影響,主要表現為畫面細節模糊不清。在焦平面上,艾里斑的半徑為   : $d=1.22\lambda N,\,$ 這裡, $\lambda $ 為光的波長, $N$ 為光學系統中鏡頭的焦比(焦距與孔徑的相對比值)。對應的分辨角為
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光的衍射
: $\sin \theta =1.22{\frac {\lambda }{D}}$ 其中, $D$ 為光學系統物鏡(例如望遠鏡的主鏡片)的尺寸。 給定兩個點波源,它們會各自產生艾里圖樣。當這兩個點波源相互越加靠近對方時,兩個艾里圖樣也會慢慢開始重疊,最後甚至會合併形成單一的圖樣,從而導致無法分辨出兩個獨立波源所對應的圖像。使用望遠鏡觀察太空中的一對雙星就很可能遇到這樣的情況。瑞立準則指出,只有當兩個像之間的距離大於或等於艾里斑的半徑時,也就是說,當一個圓斑的中心(中央的主極大值位置)不在另一個圓斑的邊緣(第一極小值位置)之內,:214:191 才可以說這對應的兩個獨立波源能夠被明確分辨出來。 這樣,當鏡片孔徑越大、波長越短,則光學系統的解析度越好。這就是望遠鏡具有大口徑鏡頭的原因。這也解釋了顯微鏡觀察細節的能力受到限制的原因。:190-192 ## 繞射波的普遍性質 透過總結各種不同的實驗現象,可以發現波的繞射具有以下普遍性質: * 繞射波的角間距與造成繞射的物體的尺寸負相關。也就是說,造成繞射的物體的尺寸越小,它所形成的繞射條紋越寬,反之亦然。例如,在單縫繞射裏,根據公式 $d\,\sin \theta =\lambda $ ,當入射波的波長 $\lambda $ 一定時,狹縫寬度 $d$ 越小,第一極小值對應的 $\theta $ 就越大,從而造成中間的亮紋寬度增加; * 某一級繞射角的大小,只取決於入射波的波長與繞射物體尺寸的相對比值; * 當造成繞射的物體結構具有週期性(例如繞射光柵),則繞射後的圖樣會變得更窄。例如,對比 2 條狹縫產生的繞射與 5 條狹縫產生的繞射,兩種情況的狹縫間距相等,不過 5 條狹縫產生的繞射圖樣更細(參見繞射光柵一節的第三幅插圖)。 ## 粒子繞射 量子理論指出,所有的實物粒子都具有波動性。特別的,大質量粒子可以發生明顯的干涉和繞射現象。電子和中子的繞射是量子力學的重要關注對象。根據德布羅意假設,   : $\lambda ={\frac {h}{p}}$ 這裡 $h$ 為普朗克常數, $p$ 是實物粒子的動量(低速情況下等於質量和速度的乘積)。
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光的衍射
對於大多數宏觀粒子來說,它們所具有的德布羅意波長非常短,不足以表現明顯的波動性。:79 例如,以每秒 30,000 米移動的鈉原子,其德布羅意波長大約為 50 皮米(pico meter)。德布羅意在進行論文答辯時讓・佩蘭曾詢問他如何證明他所謂的「物質波」,德布羅意回答說:「用晶體對電子的繞射實驗可以做到」。:247 後來,電子在鎳晶體的繞射印證了他的假設。:21-24 即便是最小的宏觀物體,其波長還是非常小,因此物質波的繞射現象只能在微觀的粒子(例如電子、中子、原子和小分子)上體現。這些物質的短波長使得它們很適合用來研究固體和大分子(諸如蛋白質)的原子晶體結構。 一些相對較大的分子,像富勒烯,也能表現出繞射現象。 ## 布拉格繞射 晶體具有週期性的物質結構。由於在這種週期性結構中,原子間距為 10-10 米數量級,因此它可以作為波的繞射光柵。:29 如果滿足一定的條件,就能夠使入射波發生繞射現象,這樣的繞射被稱為布拉格繞射。:23 它與光波在其他繞射光柵中發生的散射現象類似。同相位的入射波經過不同晶面,在晶格原子處發生繞射後,將會具有相位差,從而產生干涉相長或干涉相消,這就形成了布拉格繞射。若不考慮康普頓散射,則波束的波長在進入晶體前後不發生改變。根據布拉格定律,干涉加強位置所滿足的條件為   : $m\lambda =2d\sin \theta \,$ 這裡 * $\lambda $ 為入射波(如常用的 X 射線等)波長 * $d$ 為晶面間距 * $\theta $ 為入射波與繞射平面的夾角,2 $\theta $ 為繞射角度 * $m$ 為繞射級數 晶體學中的布拉格繞射可以利用短波長的波作為入射波。由於 X 射線的波長與原子間距具有相同的數量級,因此在實驗中經常被用作入射波。此外,實驗中還經常用到 50 千伏的電子束,當用電子束進行小角度傾斜入射時,它僅能夠穿透大約 5 奈米的垂直距離,因此主要被用於薄膜材料的觀察。而中子因為具有磁矩,常被用來研究磁性材料。:30 由於這些入射波的波長小於或接近原子的間距,實驗可以產生較明顯的繞射輻照度分布譜線。透過測量入無線電磁波繞射譜上布拉格尖峰的位置,並利用上面的繞射公式,就可以求得晶面間距 $d$ ,並由此推測晶體的結構。傳統的布拉格繞射方法包括勞厄法、旋轉單晶法和粉末繞射法等。:25 由於發現布拉格定律的貢獻,威廉・亨利・布拉格及其子威廉・勞倫斯・布拉格獲得了 1915 年的諾貝爾物理學獎。
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光的衍射
此外,在電子顯微鏡或 X 射線形貌器(X-ray topography device)中,繞射襯度(diffraction contrast)可以用來檢驗晶體中的缺陷以及局部應變場(local strain field),進行金屬薄膜材料的相關研究。 ## 光的相干性 同一波源發射的波,由於傳播路徑不同,會在觀察屏上產生干涉情況。在這種描述裏,經過不同路逕到達給定點的波之間的相位差只與它們的有效光程有關,而與時間無關。正因為如此,觀察屏上給定點的明暗情況是確定的,這樣總體上會形成穩定的圖樣。如果採用不相干入射光,那麼其中的不同波傳播到給定點時的相位差將會極快地、無規則地變化,這樣在觀察屏上就無法形成穩定的干涉相長或干涉相消的圖樣,而是在這兩種情況之間不斷變化,以至於無法觀察到明暗條紋。:919 一束光波的相位在某段長度上是相關的,這段長度被稱作是縱向相干長度,簡稱為「相干長度」。為了使干涉能夠發生,光程差必須小於相干長度。有時候,這被稱為波譜相干性,因為它與波中存在的不同頻率成分有關。在原子躍遷發射光波的情況中,相干長度與原子產生躍遷的激發態的壽命有關。:314-316:71-74 如果光波由擴展光源發射,則可能會出現橫向的不相干。當觀察一束光的截面時,相位在某段橫向距離上是相關的,這段橫向距離被稱作是「橫向相干長度」。在楊氏雙縫實驗中,這意味著如果橫向相干長度比兩條狹縫的間距小,那麼在觀察屏上形成的圖樣看起來就像是兩個獨立單縫形成的繞射圖樣。:74-79 在電子、中子和原子電漿的情況中,相干長度與描述粒子的波函數的空間範圍有關。:107 ## 參見 * 繞射的數學表述(diffraction formalism) * 繞射的動力理論(dynamical theory of diffraction) * 雷射繞射分析(Laser diffraction analysis) * 繞射儀(diffractometer) * 大氣層繞射(atmostpheric diffraction) * 光環 * 彩雲 * X 光散射技術 ## 參考文獻 ## 外部連結 * 英國皇家研究院視頻網頁:Diffraction * 西班牙國家研究理事會網頁:Diffraction and Crystallography for beginners (頁面存檔備份,存於網際網路檔案館) * 物理勿勿理網站網頁:波動篇 (頁面存檔備份,存於網際網路檔案館)
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光的衍射
* 谷歌網站:Google Maps (頁面存檔備份,存於網際網路檔案館) – 在巴拿馬運河入口處,海波繞射的衛星影像。 * 劍橋大學材料科學系網頁:DoITPoMS Teaching and Learning Package - Diffraction and Imaging (頁面存檔備份,存於網際網路檔案館)
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泛函分析
**泛函分析**(英語:Functional Analysis)是現代數學分析的一個分支,隸屬於分析學,其研究的主要物件是函數構成的函數空間。泛函分析歷史根源是由對函數空間的研究和對函數的轉換(如傅立葉轉換等)的性質的研究。這種觀點被證明是對微分方程式和積分方程式的研究中特別有用。 使用泛函這個詞作為表述源自變分法,代表作用於函數的函數,這意味著,一個函數的參數是函數。這個名詞首次被雅克・阿達馬在 1910 年使用於這個課題的書中。是泛函分析理論的主要奠基人之一。然而,泛函的一般概念以前曾在 1887 年是由義大利數學家和物理學家維多・沃爾泰拉(Vito Volterra)介紹。非線性泛函理論是由雅克・阿達馬的學生繼續研究,特別是莫里斯・弗雷歇(Maurice Fréchet)可和列維(Levy)。 雅克・阿達馬還創立線性泛函分析的現代流派,並由弗里傑什・里斯和一批圍繞著斯特凡・巴拿赫(Stefan Banach)的波蘭數學家群體利沃夫數學學派進一步發展。 ## 賦範線性空間 從現代觀點來看,泛函分析研究的主要是實數體或複數域上的完備賦範線性空間。這類空間被稱為巴拿赫空間,巴拿赫空間中最重要的特例被稱為希爾伯特空間,其上的範數由一個內積導出。這類空間是量子力學數學描述的基礎。更一般的泛函分析也研究 Fréchet 空間和拓撲向量空間等沒有定義範數的空間。 泛函分析所研究的一個重要物件是巴拿赫空間和希爾伯特空間上的連續線性算子。這類算子可以導出 C\*- 代數和其他算子代數的基本概念。 ### 希爾伯特空間 希爾伯特空間(_Hilbert_)可以利用以下結論完全分類,即對於任意兩個希爾伯特空間,若其基的基數相等,則它們必彼此同構。對於有限維希爾伯特空間而言,其上的連續線性算子即是線性代數中所研究的線性轉換。對於無窮維希爾伯特空間而言,其上的任何態射均可以分解為可數維度(基的基數為 $\aleph _{0}$ )上的態射,所以泛函分析主要研究可數維度上的希爾伯特空間及其態射。希爾伯特空間中的一個尚未完全解決的問題是,是否對於每個希爾伯特空間上的算子,都存在一個真不變子空間。該問題在某些特定情況下的答案是肯定的。 ### 巴拿赫空間 一般的巴拿赫空間(_Banach_)比較複雜,例如沒有通用的辦法構造其上的一組基。
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泛函分析
對於每個實數 $p$ ,如果 $p\geq 1$ ,一個巴拿赫空間的例子是「所有絕對值的 $p$ 次方的積分收斂的勒貝格可測函數」所構成的空間。(參看 Lp 空間) 在巴拿赫空間中,相當部分的研究涉及到對偶空間的概念,即巴拿赫空間上所有連續線性泛函所構成的空間。對偶空間的對偶空間可能與原空間並不同構,但總可以構造一個從巴拿赫空間到其對偶空間的對偶空間的一個單同態。 微分的概念可以在巴拿赫空間中得到推廣,微分算子作用於其上的所有函數,一個函數在給定點的微分是一個連續線性映射。 ## 主要結果和定理 泛函分析的主要定理包括: * 一致有界定理(亦稱共鳴定理),該定理描述一族有界算子的性質。 * 譜定理包括一系列結果,其中最常用的結果給出了希爾伯特空間上正規算子的一個積分表達,該結果在量子力學的數學描述中起到了核心作用。 * 哈恩 - 巴拿赫定理(Hahn-Banach Theorem)研究了如何將一個算子保範數地從一個子空間延拓到整個空間。另一個相關結果是對偶空間的非平凡性。 * 開映射定理和閉圖定理。 ## 泛函分析與選擇公理 泛函分析所研究的大部分空間都是無窮維的。為了證明無窮維向量空間存在一組基,必須要使用佐恩引理(Zorn's Lemma)。此外,泛函分析中大部分重要定理都構建於哈恩 - 巴拿赫定理的基礎之上,而該定理本身就是選擇公理(Axiom of Choice)弱於布林質理想定理(Boolean prime ideal theorem)的一個形式。 ## 研究現狀 泛函分析目前包括以下分支: * 軟分析(soft analysis),其目標是將數學分析用拓撲群、拓撲環和拓撲向量空間的語言表述。 * 巴拿赫空間的幾何結構,以 Jean Bourgain 的一系列工作為代表。 * 非交換幾何,此方向的主要貢獻者包括 Alain Connes,其部分工作是以 George Mackey 的遍歷論中的結果為基礎的。 * 與量子力學相關的理論,狹義上被稱為數學物理,從更廣義的角度來看,如按照伊斯拉埃爾・蓋爾范德所述,其包含表示論的大部分類型的問題。 ## 參考資料 ## 相關主題 * 調和分析 * 逼近理論 * 分析 * 微分幾何及拓撲學 * 代數拓撲 * 代數幾何 * 抽象代數
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约翰·波普尔
**約翰・安東尼・波普**爵士,KBE,FRS(英語:Sir **John Anthony Pople**,1925 年 10 月 31 日 —2004 年 3 月 15 日),英國化學家,1998 年諾貝爾化學獎得主之一。 ## 生平 約翰生於英格蘭索美塞特郡一個名為濱海伯納姆的小鎮,他的父親是一位經營服裝店的商人,母親則來自一個農民家庭。少年時期的波普曾經就讀於布里斯托中學,現在在那所中學還有一間計算機房和一項獎學金以波普的名字命名。青年波普進入英國劍橋大學,成為家族中第一位大學生,1946 年波普獲得了他的學士學位,1951 年獲得數學系的哲學博士學位 (PhD),雖然獲得的是數學系的學位,但是波普的博士學位論文卻是關於化學的內容:水分子的價鍵結構。1960 年代早期約翰・波普移民美國並一直居住在那裡直到逝世,但他保留了他的英國國籍。波普本人更傾向於自認為是一位數學家而非化學家,但是理論化學家們卻普遍認為,約翰・安東尼・波普是他們當中最重要的成員之一。 約翰・波普作出的第一項重大貢獻是在 1953 年提出的對 π 電子體系的分子軌道近似理論,由於理論化學家 Rudolph Pariser 和羅伯特・帕爾在同年亦提出了等價于波普理論的類似方法,因而這種近似方法現在又被稱為 PPP 方法。1965 年波普又提出了完全忽略異核雙電子積分的 CNDO 方法以及部分忽略異核雙電子積分的 INDO 方法,CNDO 和 INDO 是至今仍有廣泛應用的近似計算三維分子中分子結構性質的半經驗量子化學計算方法。此外,波普還對計算化學理論的發展作出了許多重大的貢獻。約翰・波普對量子化學從頭計算方法作出了改進,他引入了斯萊特型函數和高斯型函數組成的基組來模擬波函數,這大大降低了從頭計算的計算成本,而如今迅猛發展的計算機技術更是凸現了波普所引入的新方法在計算中的優勢。約翰・波普最為人們所了解的貢獻,便是他將計算化學理論方法工具化,開發出了現今應用最廣泛的量子化學計算程序包 GAUSSIAN,但是令人遺憾的是,1991 年之後,波普不僅被排除出 GAUSSIAN 軟體的開發團隊,甚至被公司禁止使用這一軟體。 1986 年以前波普一直任職於賓夕法尼亞州匹茲堡的卡內基梅隆大學,在這裡他完成了早年的主要理論貢獻。1986 年波普離開卡內基梅隆大學,來到芝加哥供職於西北大學。1998 年年他由於在量子化學計算方法方面卓越的貢獻獲得了當年度諾貝爾化學獎;2003 年獲得封爵。
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约翰·波普尔
## 外部連結 * 約翰・波普自傳 (英文) (頁面存檔備份,存於網際網路檔案館) * 1998 年度諾貝爾化學獎主頁 (英文) (頁面存檔備份,存於網際網路檔案館) * PPP 方法 (英文) (頁面存檔備份,存於網際網路檔案館) * 衛報刊發的訃聞 (英文) (頁面存檔備份,存於網際網路檔案館)
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偶合簇
**耦合簇方法**(**coupled cluster**, **CC**)是量子化學全始計算法中對多電子相關能的其中一種高精確計算方法。它從哈特里-福克分子軌道出發,通過指數形式的耦合算符運算得到真實體系的波函數。一些小分子和中等大小的分子精度最高的計算結果是通過 CC 方法得到的。 ## 波函數擬設 耦合簇方法提供了一種近似求解不含時薛丁格方程的方法: ${\hat {H}}\vert {\Psi }\rangle =E\vert {\Psi }\rangle $ 這裡 ${\hat {H}}$ 表示體系的哈密頓量。體系的基態波函數與基態能量分別用 $\vert {\Psi }\rangle $ 和 _E_ 來表示。耦合簇理論的其它變體,如運動方程耦合簇方法 和多參考態耦合簇方法,則提供了求解體系激發態的方法。 體系的基態波函數可以用下面的擬設來表出: $\vert {\Psi }\rangle =e^{\hat {T}}\vert {\Phi _{0}}\rangle $ 式中 $\vert {\Phi _{0}}\rangle $ 為哈特里-福克基態波函數, ${\hat {T}}$ 是一個激發算符,稱為簇算符,當它作用在 $\vert {\Phi _{0}}\rangle $ 上時,得到一組斯萊特行列式的線性組合。(詳情見下文) 在擬設的選取上,CC 方法比起其它的方法例如組態相互作用方法(CI)有優勢。這是因為這一擬設具有大小廣延性。CC 方法的大小一致性取決於參考波函數的大小一致性。CC 方法的一個主要缺陷是,它不是變分的。 ## 簇算符 簇算符由下式給出: ${\hat {T}}={\hat {T}}_{1}+{\hat {T}}_{2}+{\hat {T}}_{3}+\cdots $ 其中 ${\hat {T}}_{1}$ 是包含所有單激發的算符, ${\hat {T}}_{2}$ 是包含所有雙激發的算符,余類推。這些算符可以通過正則量子化表達為下列形式: ${\hat {T}}_{1}=\sum _{i}\sum _{a}t_{i}^{a}{\hat {a}}_{a}^{\dagger }{\hat {a}}_{i},$
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偶合簇
${\hat {T}}_{2}={\frac {1}{4}}\sum _{i,j}\sum _{a,b}t_{ij}^{ab}{\hat {a}}_{a}^{\dagger }{\hat {a}}_{b}^{\dagger }{\hat {a}}_{j}{\hat {a}}_{i},$ 余類推。 在上面的式子中, ${\hat {a}}^{\dagger }$ 和 ${\hat {a}}$ 分別是電子的產生及湮沒算符。下標 _i, j_ 表示占據軌道,而 _a, b_ 表示空軌道。在耦合簇算符中的產生和湮沒算符按照正規序排列。單粒子激發算符 ${\hat {T}}_{1}$ 和雙粒子激發算符 ${\hat {T}}_{2}$ 分別把 $\vert {\Phi _{0}}\rangle $ 變為單激發和雙激發斯萊特行列式的線性組合。為了最終得到體系的波函數,需要求解擬設中的待定係數 $t_{i}^{a}$ , $t_{ij}^{ab}$ 等。 考慮到簇算符 ${\hat {T}}$ 的結構後,指數耦合算符 $e^{\hat {T}}$ 可以展開成泰勒級數: $e^{\hat {T}}=1+{\hat {T}}+{\frac {{\hat {T}}^{2}}{2!}}+\cdots =1+{\hat {T}}_{1}+{\hat {T}}_{2}+{\frac {{\hat {T}}_{1}^{2}}{2}}+{\hat {T}}_{1}{\hat {T}}_{2}+{\frac {{\hat {T}}_{2}^{2}}{2}}+\cdots $ 事實上,這一級數是有限的,因為分子軌道的數目與激發的數目都是有限的。為了簡化求解係數 $t$ 的過程, ${\hat {T}}$ 的展開式中一般在雙激發或略高一點的激發處截斷,很少有超過四激發的。這是因為是否包含五激發以上的算符 ${\hat {T}}_{5}$ 、 ${\hat {T}}_{6}$ 等,對最終計算結果的影響很小。而且,即使只在簇算符的表達式中取前 $n$ 項: ${\hat {T}}={\hat {T}}_{1}+...+{\hat {T}}_{n}$ 那麼由於耦合算符具有指數形式,高於 $n$ 激發的斯萊特行列式仍然會對最終的波函數有貢獻。因此,在 ${\hat {T}}_{n}$ 處截斷的 CC 方法通常能比激發數最高為 $n$ 的 CI 方法獲得更多的電子相關能修正。
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偶合簇
## 耦合簇方程 耦合簇方程就是展開係數 $t$ 所滿足的方程。有多種方法來書寫這一方程,其中標準的做法是會得到一個可以迭代求解的方程組。耦合簇方法的薛丁格方程可以寫成:   : ${\hat {H}}e^{\hat {T}}\vert {\Psi _{0}}\rangle =Ee^{\hat {T}}\vert {\Psi _{0}}\rangle $ 假設現在共有 $q$ 個 $t$ 係數需要求解。於是我們需要 $q$ 個方程。注意到每一個 $t$ 係數都與唯一的一個激發斯萊特行列式相關聯: $t_{ijk...}^{abc...}$ 對應的是 $\vert {\Phi _{0}}\rangle $ 中處於 $i,j,k,\cdots $ 軌道上的電子分別被激發到 $a,b,c,\cdots $ 軌道上所得的行列式。上式兩邊向對應的行列式投影,就得到了我們所要的 $q$ 個方程。 $\langle {\Psi ^{*}}\vert {\hat {H}}e^{\hat {T}}\vert {\Psi _{0}}\rangle =E\langle {\Psi ^{*}}\vert e^{\hat {T}}\vert {\Psi _{0}}\rangle $ 式中 $\vert {\Psi ^{*}}\rangle $ 表示任意一個與待求的 $t$ 係數相關聯的激發行列式。為了更好地利用這些方程之間的聯繫,我們可以把上面的方程改寫成一種更方便的形式,將 $e^{-{\hat {T}}}$ 乘到耦合簇薛丁格方程兩端,然後分別向 $\Psi _{0}$ 和 $\Psi ^{*}$ 投影,我們得到: $\langle {\Psi _{0}}\vert e^{-{\hat {T}}}{\hat {H}}e^{\hat {T}}\vert {\Psi _{0}}\rangle =E$ $\langle {\Psi ^{*}}\vert e^{-{\hat {T}}}{\hat {H}}e^{\hat {T}}\vert {\Psi _{0}}\rangle =E\langle {\Psi ^{*}}\vert e^{-{\hat {T}}}e^{\hat {T}}\vert {\Psi _{0}}\rangle =0$ 第一式提供了求解 CC 能量的方法,第二式則是用來求解 $t$ 係數的方程。以標準的 CCSD 方法為例,方程組中包括下面三組方程:
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偶合簇
$\langle {\Psi _{0}}\vert e^{-({\hat {T}}_{1}+{\hat {T}}_{2})}{\hat {H}}e^{({\hat {T}}_{1}+{\hat {T}}_{2})}\vert {\Psi _{0}}\rangle =E$ $\langle {\Psi _{S}}\vert e^{-({\hat {T}}_{1}+{\hat {T}}_{2})}{\hat {H}}e^{({\hat {T}}_{1}+{\hat {T}}_{2})}\vert {\Psi _{0}}\rangle =0$ $\langle {\Psi _{D}}\vert e^{-({\hat {T}}_{1}+{\hat {T}}_{2})}{\hat {H}}e^{({\hat {T}}_{1}+{\hat {T}}_{2})}\vert {\Psi _{0}}\rangle =0$ 上式中經相似變換後的哈密頓量(用 ${\bar {H}}$ 表示)可以通過 BCH 公式 求出: ${\bar {H}}=e^{-{\hat {T}}}{\hat {H}}e^{\hat {T}}={\hat {H}}+\left[{\hat {H}},{\hat {T}}\right]+{\frac {1}{2}}\left[\left[{\hat {H}},{\hat {T}}\right],{\hat {T}}\right]+\cdots $ ${\bar {H}}$ 不是厄米的。 ## 耦合簇方法的種類 傳統上耦合簇方法依照 ${\hat {T}}$ 中包含哪些 ${\hat {T}}_{n}$ 算符來進行分類。相應的方法名稱則由 CC 後面加上相應的字母構成: 1. S - 單激發 (在英語的 CC 術語裡面簡稱 _singles_) 2. D - 雙激發 (_doubles_) 3. T - 三激發 (_triples_) 4. Q - 四激發 (_quadruples_) 例如,CCSDT 方法裡面簇算符 ${\hat {T}}$ 的表達式如下: $T={\hat {T}}_{1}+{\hat {T}}_{2}+{\hat {T}}_{3}.$ 在圓括號裡面的項則表示它們是通過微擾理論求得的。例如 CCSD (T) 表示: 1. 耦合簇方法 2. 包含完整的單激發和雙激發 3. 三激發則採用微擾理論而不是迭代求解
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偶合簇
## 參見 * 組態相互作用方法 ## 參考文獻 ## 擴展閱讀 * A theoretical review and introduction to coupled cluster theory * An Introduction to Coupled-Cluster Theory * The Coupled Cluster (CC) Approach * Cramer, C. J. Essentials of Computational Chemistry: Theories and Models. Wiley
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密度函理論
**密度泛函理論** (英語:density functional theory,簡稱 DFT)是一種研究多電子體系電子結構的量子力學方法。密度泛函理論在物理和化學上都有廣泛的應用,特別是用來研究分子和凝聚體的性質,是凝聚體物理和計算化學領域最常用的方法之一。 ## 理論概述 電子結構理論的古典方法,特別是 Hartree-Fock 方法和後 Hartree-Fock 方法,是基於複雜的多電子波函數的。密度泛函理論的主要目標就是用電子密度取代波函數做為研究的基本量。因為多電子波函數有 $3N$ 個變量( $N$ 為電子數,每個電子包含三個空間變量),而電子密度僅是三個變量的函數,無論在概念上還是實際上都更方便處理。 雖然密度泛函理論的概念起源於 Thomas-Fermi 模型,但直到 Hohenberg-Kohn 定理提出之後才有了堅實的理論依據。Hohenberg-Kohn 第一定理指出體系的基態能量僅僅是電子密度的泛函。 Hohenberg-Kohn 第二定理證明了以基態密度為變量,將體系能量通過變分得到最小值之後就得到了基態能量。 HK 理論最初只適用於沒有磁場存在的基態,現在已經被推廣。最初的 Hohenberg-Kohn 定理僅僅指出了一一對應關係的存在,但是沒有提供任何這種精確的對應關係。正是在這些精確的對應關係中存在著近似(這個理論可以被推廣到時間相關領域,從而用來計算激發態的性質 [6])。 密度泛函理論最普遍的應用是通過 Kohn-Sham 方法實現的。 在 Kohn-Sham DFT 的框架中,複雜的多體問題(由於處在一個外部靜電位中的電子交互作用而產生的)被簡化成一個沒有交互作用的電子在有效勢場中運動的問題。這個有效勢場包括了外部勢場以及電子間庫侖交互作用的影響,例如交換和關聯作用。處理交換關聯作用是 KS DFT 的難點,目前尚沒有精確求解交換相關能 $E_{XC}$ 的方法。最簡單的近似求解方法是局域密度近似 (LDA)。LDA 近似用均勻電子氣來計算體系的交換能(均勻電子氣的交換能是可以精確求解的),而採用對自由電子氣進行擬合的方法來處理關聯能。
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密度函理論
自 1970 年以來,密度泛函理論在固態物理學計算中得到廣泛的應用。多數情況下,與其它解決量子力學多體問題的方法相比,採用局域密度近似的密度泛函理論給出了非常令人滿意的結果,同時固態計算相比實驗的費用要少。儘管如此,人們普遍認為量子化學計算不能給出足夠精確的結果,直到二十世紀九十年代,理論中所採用的近似被重新提煉成更好的交換關聯作用模型。密度泛函理論是目前多種領域中電子結構計算的領先方法。 密度泛函理論儘管得到改進,但是描述分子間作用力 ,特別是范德華力,或者計算半導體的能隙還有一定困難。 ## 早期模型: Thomas-Fermi 模型 密度泛函理論可以上溯到由 Thomas 和 Fermi 在 1920 年代發展的 _Thomas-Fermi_ 模型。他們將一個原子的動能表示成電子密度的泛函,並加上原子核 - 電子和電子 - 電子交互作用(兩種作用都可以通過電子密度來表達)的古典表達來計算原子的能量。 _Thomas-Fermi_ 模型是很重要的第一步,但是由於沒有考慮 Hartree-Fock 理論指出的原子交換能,Thomas-Fermi 方程式的精度受到限制。1928 年保羅・狄拉克在該模型基礎上增加了一個交換能泛函項。 然而,在大多數應用中 Thomas-Fermi-Dirac 理論表現得非常不夠準確。其中最大的誤差來自動能的表示,然後是交換能中的誤差,以及對電子相關作用的完全忽略。 ## 導出過程和表達式 在通常的多體問題電子結構的計算中,原子核可以看作靜止不動的(波恩 - 歐本海默近似),這樣電子可看作在原子核產生的靜電位 $\,\!V$ 中運動。電子的定態可由滿足多體薛丁格方程式的波函數 $\Psi ({\vec {r}}_{1},\dots ,{\vec {r}}_{N})$ 描述:   : $H\Psi =\left[{T}+{V}+{U}\right]\Psi =\left[\sum _{i}^{N}-{\frac {\hbar ^{2}}{2m}}\nabla _{i}^{2}+\sum _{i}^{N}V({\vec {r}}_{i})+\sum _{i<j}U({\vec {r}}_{i},{\vec {r}}_{j})\right]\Psi =E\Psi $
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密度函理論
其中 $\,\!N$ 為電子數目, $\,\!U$ 為電子間的交互作用勢。算符 $\,\!T$ 和 $\,\!U$ 稱為普適算符,它們在所有系統中都相同,而算符 $\,\!V$ 則依賴於系統,為非普適的。可以看出,單粒子問題和比較複雜的多粒子問題的區別在於交換作用項 $\,\!U$ 。目前有很多成熟的方法來解多體薛丁格方程式,例如:物理學裡使用的圖形微擾理論和量子化學里使用的基於斯萊特行列式中波函數系統展開的組態交互作用(CI)方法。然而,這些方法的問題在於較大的計算量,很難用於大規模複雜系統的計算。 相比之下,密度函理論將含 $\,\!U$ 的多體問題轉化為不含 $\,\!U$ 的單體問題上,成為解決此類問題的一個有效方法。在密度泛函理論中,最關鍵的變量為粒子密度 $n({\vec {r}})$ ,它由下式給出   : $n({\vec {r}})=N\int {\rm {d}}^{3}r_{2}\int {\rm {d}}^{3}r_{3}\cdots \int {\rm {d}}^{3}r_{N}\Psi ^{*}({\vec {r}},{\vec {r}}_{2},\dots ,{\vec {r}}_{N})\Psi ({\vec {r}},{\vec {r}}_{2},\dots ,{\vec {r}}_{N}).$ 皮埃爾・奧昂貝格和沃爾特・科恩在 1964 年提出,上面的關係可以反過來,即給出基態電子密度 $n_{0}({\vec {r}})$ ,原則上可以計算出對應的基態波函數 $\Psi _{0}({\vec {r}}_{1},\dots ,{\vec {r}}_{N})$ 。也就是說, $\,\!\Psi _{0}$ 是 $\,\!n_{0}$ 的唯一泛函,即   : $\,\!\Psi _{0}=\Psi _{0}[n_{0}]$ 對應地,所有其它基態可觀測量 $\,\!O$ 均為 $\,\!n_{0}$ 的泛函   : $\left\langle O\right\rangle [n_{0}]=\left\langle \Psi _{0}[n_{0}]\left|O\right|\Psi _{0}[n_{0}]\right\rangle .$ 進而可以得出,基態能量也是 $\,\!n_{0}$ 的泛函
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密度函理論
: $E_{0}=E[n_{0}]=\left\langle \Psi _{0}[n_{0}]\left|T+V+U\right|\Psi _{0}[n_{0}]\right\rangle $ , 其中外勢場的貢獻 $\left\langle \Psi _{0}[n_{0}]\left|V\right|\Psi _{0}[n_{0}]\right\rangle $ 可以用密度表示成   : $V[n(r)]=\int V({\vec {r}})n({\vec {r}}){\rm {d}}^{3}r.$ 泛函 $\,\!T[n(r)]$ 和 $\,\!U[n]$ 稱為普適泛函,而 $\,\!V[n]$ 顯然不是普適的,它取決於所考慮的系統。對於確定的系統,即 $\,\!V$ 已知,需要將泛函   : $E[n(r)]=T[n(r)]+U[n(r)]+\int V({\vec {r}})n({\vec {r}}){\rm {d}}^{3}r$ 對於 $n({\vec {r}})$ 求極小值。這裡假定能夠得出 $\,\!T[n(r)]$ 和 $\,\!U[n(r)]$ 的表達式。對能量泛函求極值可以得到基態電子密度 $\,\!n_{0}$ ,進而求得所有基態可觀測量。 對能量泛函 $\,\!E[n(r)]$ 求變分極值可以用不定算子的拉格朗日方法,這由科恩和沈呂九在 1965 年完成。這裡我們使用如下結論:上面方程式中的泛函可以寫成一個無交互作用的體系的密度泛函   : $E_{s}[n(r)]=\left\langle \Psi _{s}[n]\left|T_{s}+V_{s}\right|\Psi _{s}[n(r)]\right\rangle ,$ 其中 $\,\!T_{s}$ 為無交互作用的動能, $\,\!V_{s}$ 為粒子運動感受到的外勢場。顯然, $n_{s}({\vec {r}})\equiv n({\vec {r}})$ ,若 $\,\!V_{s}$ 取為   : $V_{s}=V+U+\left(T-T_{s}\right).$ 這樣,可以解這個輔助的無交互作用體系的科恩 - 沈呂九方程式
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密度函理論
: $\left[-{\frac {\hbar ^{2}}{2m}}\nabla ^{2}+V_{s}({\vec {r}})\right]\phi _{i}({\vec {r}})=\epsilon _{i}\phi ({\vec {r}}),$ 可以得到一系列的電子軌域 $\,\!\phi _{i}$ ,並由此求得原來的多體體系的電子密度 $n({\vec {r}})$   : $n({\vec {r}})\equiv n_{s}({\vec {r}})=\sum _{i}^{N}\left|\phi _{i}({\vec {r}})\right|^{2}.$ 等效的單粒子勢 $\,\!V_{s}$ 可以表示成   : $V_{s}=V+\int {\frac {e^{2}n_{s}({\vec {r}}\,')}{|{\vec {r}}-{\vec {r}}\,'|}}{\rm {d}}^{3}r'+V_{\rm {XC}}[n_{s}({\vec {r}})],$ 其中第二項為描述電子間庫侖斥力的哈特里項,最後一項 $\,\!V_{\rm {XC}}$ 叫做交換關聯勢,包含所有多粒子的交互作用。由於哈特里項和交換關聯項 $\,\!V_{\rm {XC}}$ 都依賴於 $n({\vec {r}})$ , $n({\vec {r}})$ 又依賴於 $\,\!\phi _{i}$ , 而 $\,\!\phi _{i}$ 又依賴於 $\,\!V_{s}$ , 科恩 - 沈呂九方程式的求解需要用自洽方法。通常首先假設一個初始的 $n({\vec {r}})$ , 然後計算對應的 $\,\!V_{s}$ 並求解科恩 - 沈呂九方程式中的 $\,\!\phi _{i}$ 。進而可以計算出新的密度分布,並開始新一輪計算。此過程不斷重複,直到計算結果收斂。 ## 參考資料 [1] P. Hohenberg and W. Kohn, Phys. Rev. _136_ (1964) B864 [2] W. Kohn and L. J. Sham, Phys. Rev. _140_ (1965) A1133 [3] A. D. Becke, J. Chem. Phys. _98_ (1993) 5648 [4] C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B _37_ (1988) 785
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密度函理論
[5] P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. _98_ (1994) 11623 ## 相關閱讀 * Klaus Capelle, A bird's-eye view of density-functional theory(頁面存檔備份,存於網際網路檔案館)
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基礎粒子
粒子物理學中,**基本粒子**是組成物質最基本的單位。其內部結構未知,所以也無法確認是否由其它更基本的粒子所組成。隨著物理學的不斷發展,人類對物質構成的認知逐漸深入,因此基本粒子的定義隨時間也有所變化。目前在標準模型理論的架構下,已知的基本粒子可以分為費米子(包含夸克和輕子)以及玻色子(包含規範玻色子和希格斯粒子)。由兩個或更多基本粒子所組成的粒子則稱作複合粒子。 我們日常生活中的物質由原子所組成。過去原子被認為是基本粒子,原子(ἄτομος)這個詞來自古希臘語中「不可切分的」。直到約 1910 年以前,原子的存在與否仍存在爭議,一些物理學家認為物質是由量子所組成,而分子不過是數學上的一種猜想。之後,原子核被發現是由質子和中子所構成。20 世紀前、中期的基本粒子是指質子、中子、電子、光子和各種介子,這是當時人類所能探測的最小粒子。隨著實驗和量子場論的進展,發現質子、中子、介子是由更基本的夸克和膠子所組成。同時人類也陸續發現性質和電子類似的一系列輕子,還有性質和光子、膠子類似的一系列規範玻色子。這些是現代的物理學所理解的基本粒子。 ## 分類 ### 費米子 基本費米子分為 2 類:夸克和輕子。 #### 夸克 目前的實驗顯示共存在 6 種夸克,和他們各自的反粒子。這 6 種夸克又可分為 3「代」。他們是 第一代:u(上夸克) d(下夸克) 第二代:s(奇夸克) c(魅夸克) 第三代:b(底夸克) t(頂夸克) 它們的質量關係是 $m_{u}\simeq m_{d}<m_{s}<m_{c}<m_{b}<m_{t}$ 。另外值得指出的是,他們之所以未能被早期的科學家發現,是由於被稱為夸克禁閉的現象,即夸克不會單獨存在(頂夸克例外,但是頂夸克太重了而衰變又太快,早期的實驗無法製造),而總是成對地構成介子,或者 3 個一起構成質子和中子這一類的重子。這也是早期科學家誤以為介子和重子是基本粒子的原因。 #### 輕子 共存在 6 種輕子和他們各自的反粒子。其中 3 種是電子和與它性質相似的 $\mu $ 子和 $\tau $ 子。而這三種各有一個相伴的微中子。他們也可以分為三代: 第一代: $e$ (電子) $\nu _{e}$ (電微中子) 第二代: $\mu $ (渺子) $\nu _{\mu }$ (緲微中子) 第三代: $\tau $ (濤子) $\nu _{\tau }$ (濤微中子) ### 玻色子
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基礎粒子
玻色子是依隨玻色 - 愛因斯坦統計,自旋為整數的粒子。 #### 規範玻色子 這是一類在粒子之間起媒介作用、傳遞交互作用的粒子。之所以它們稱為「規範玻色子」,是因為它們與基本粒子的理論楊 - 米爾斯規範場理論有很密切的關係。 自然界一共存在四種交互作用,因此也可以把規範玻色子分成四類。 * 引力交互作用:引力子(尚未被實驗證實) * 電磁交互作用:光子 * 弱交互作用(使粒子衰變的交互作用):W 及 Z 玻色子,共有 3 種: $W^{+},W^{-},Z^{0}$ * 強交互作用(夸克之間的交互作用):膠子 粒子物理學已經證明電磁交互作用和弱交互作用來源於宇宙早期能量極高時的同一種交互作用,稱為「電弱交互作用」。有很多粒子物理學家猜想在更早期宇宙更高能量(普朗克尺度)時很可能這四種交互作用全都是統一的,這種理論稱為 "萬有理論"。但是目前因為加速器能夠達到的能量相對普朗克尺度仍然非常的低,所以很難驗證。而大一統理論目前主要的發展方向是超弦理論。 膠子是強交互作用的媒介子,帶有色與反色並由於色緊閉而從未被探測器觀察到過。不過,像單個的夸克一樣,它們產生強子噴注。在高能態環境下電子與正電子的對滅有時產生三個噴註:一個夸克,一個反夸克和一個膠子是最先證明膠子存在的證據。 #### 希格斯粒子 希格斯玻色子是一種具有質量的玻色子,沒有自旋,不帶電荷,非常不穩定,在生成後會立刻衰變。在標準模型預言的 61 種基本粒子中,希格斯玻色子是最後一種被實驗證實的粒子。 ## 標準模型外的理論性粒子 ### 超對稱粒子 除了以上這些實驗已經證明的基本粒子之外,理論粒子物理學家為了解釋某些現有理論無法解釋的實驗現象,而猜想我們的宇宙中可能存在超對稱粒子。它們質量非常地大(相對一般粒子如質子而言),因此現有的加速器還無法製造他們。但是因為**量子漲落**的存在,因此它們可能在非常短的時間間隔內和非常小的機率下與我們可見的粒子發生交互作用,因此它們可以間接地探測到。目前每種粒子都被認為存在對應的超對稱粒子。並且被用來解釋某些物理現象。例如夸克的超對稱粒子用來解釋正反粒子數目的不對稱,以及微中子的超對稱粒子用來解釋為什麼微中子的質量如此之小(但不是等於 0)。 ### 假想的粒子
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基礎粒子
有一些粒子,僅僅是理論學家的假想,而基本沒有確切的實驗根據,因此可能宇宙中根本不存在。這些粒子的提出或者只是為了給某些現有的現象作一種可能的解釋,或者僅僅是這種粒子如果存在也不會破壞現有的物理定律,因此我們沒有理由相信他們一定不存在而已。例如某些科學家認為占宇宙總能量約 25% 的「暗物質」,就是一種與其他物質作用極其微弱的但是有質量的粒子(WIMP)。此外也有一些理論研究某些速度永遠大於光速的速子,以及磁單極子或加速子等等。 ## 參考文獻 ## 外部連結 * (英文)粒子數據集團 (Particle Data Group)(頁面存檔備份,存於網際網路檔案館) - 關於有關基本粒子物理學當前的實驗和理論知識,最重要的地址是粒子數據組,其中不同的國際機構收集所有的實驗數據,並以當代的理論認識給出短的評論。 * (英文)CERNCourier: Season of Higgs and melodrama(頁面存檔備份,存於網際網路檔案館) * (英文)五夸克資訊頁 * (英文)Interactions.org(頁面存檔備份,存於網際網路檔案館), 粒子物理學新聞 ## 參見 * 漸近自由 * 粒子列表 * 物理主義 * 量子場論 * 量子引力
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规范粒子
**規範玻色子**是傳遞基本相互作用的媒介粒子,它們的自旋都為整數,屬於玻色子,它們在粒子物理學的標準模型內都是基本粒子。 規範玻色子包括: * 膠子 - 強相互作用的媒介粒子,自旋為 1,有 8 種 * 光子 - 電磁相互作用的媒介粒子,自旋為 1,只有 1 種 * W 及 Z 玻色子 - 弱相互作用的媒介粒子,自旋為 1,有 3 種 * 引力子 - 引力相互作用的媒介粒子,自旋為 2,只有 1 種 標準模型預言的另外一種玻色子 —— 希格斯粒子,不屬於**規範玻色子**。 ## 標準模型的規範玻色子 粒子物理學的標準模型給出了三種標準玻色子:傳遞電磁相互作用的光子;傳遞弱相互作用的 W 及 Z 玻色子,和傳遞強相互作用的膠子。 單個膠子在低能狀態下無法存在,因為他們的色荷性質,並且必須服從夸克禁閉。 ### 規範玻色子的多樣性 在量子化的規範場論中標準玻色子是規範場的量子。因此,規範玻色子的數量和規範場的生成元數量相當。在量子電動力學中,規範場是 _U_(1);在這一簡單情形下,只有一個規範玻色子(光子)。在量子色動力學中,規範場是更複雜的 _SU_(3),擁有八個生成元,因此對應於八種膠子。在電弱相互作用理論中,_SU_(2) 的三個生成元(大致)對應於 W 及 Z 玻色子。 ### 帶質量的規範玻色子 基於技術上的原因,規範不變性導致規範玻色子在數學上被描述為無質量粒子的場方程。因此在單純的理論中,規範玻色子應當是無質量的,相互作用應當是長程的。這一觀點和弱相互作用是短程力的是實驗結果相矛盾,因此需要更深入的理論見解。 根據標準模型,W 及 Z 玻色子通過希格斯機制獲得質量。在希格斯機制中,統一的電弱相互作用中四種玻色子(擁有 _SU_(2)×_U_(1) 對稱性)與希格斯場相耦合。根據場的勢能形狀,希格斯場會導致自發對稱性破缺。因此,宇宙中彌散了非零的希格斯真空期望值。非零的真空期望值與電弱相互作用中的三個玻色子(W 及 Z 玻色子)相耦合,給予它們質量;剩下一個玻色子仍然是無質量的(光子)。這一理論同時預言了純量場希格斯粒子的存在;2012 年 7 月 4 日報導中,實驗中觀測到了希格斯粒子。 ## 後標準模型 ### 大統一理論
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规范粒子
大統一理論預言新的規範玻色子,稱為 X 及 Y 玻色子。假想中的 X 及 Y 玻色子直接與夸克和輕子相互作用,這會導致重子數守恆的違反,並導致質子衰變。基於對稱性破缺,這些玻色子可能會比 W 及 Z 玻色子的質量更重。來自超級神岡中微子探測器的數據分析表明,目前暫無證據表明 X 及 Y 玻色子的存在。 ### 引力子 引力作為第四種相互作用,可能也是由被稱為引力子的玻色子傳遞的。但是實驗上尚無證據表明引力子的存在,數學上也沒有與量子引力相容的理論,因此我們不知道引力子是否為規範玻色子。廣義相對論中的規範不變性,可以由類似的對稱性來描述:微分流形不變性,又稱廣義協變。 ### W' 及 Z' 玻色子 W' 及 Z' 玻色子是指假想中的新玻色子(類似於標準模型中的 W 及 Z 玻色子命名)。 ## 參考文獻 ## 參閱 * 基本相互作用 * 玻色 - 愛因斯坦統計
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酵素反应
**酶促反應**(英語:enzyme catalysis)又稱**酶催化**,是指由一類被稱為酶的特殊蛋白質所催化的化學反應。因為非催化反應的速率特別慢,故細胞中生物化學反應的催化作用就顯得極重要。 酶促反應的機制與其他類型的化學催化在原理上很相似。酶通過提供替代反應路線以及穩定中間產物的方法,減少了為達到最高能量過渡態時的能量需求。活化能(Ea)的減少增加了具有足夠達到活化能並形成產物的反應物分子的數量。 ## 誘導契合 最受歡迎的酶 - 受質反應模型是誘導契合模型。該模型提出了:酶和受質之間的最初反應是相對較弱的,但這些弱反應迅速引導酶中的構象改變以使結合變得更加緊密。 ### 誘導契合催化 因為酶緊密結合的穩定效應,誘導契合機制的優勢就體現了出來。受質結合有兩種不同的機制:①、一致結合,酶與受質結合很緊密;②、差別結合,酶與過渡態結合很緊密。一致結合的穩定結果是同時增加了受質和過渡態的結合親和力,然而差別結合只增加過渡態的結合親和力。這兩者都在進化中被酶所採用並用以將反應活化能降到最低。被飽和狀態的酶,即與受質有高度結合親和力的狀態時就需要差別結合以減少活化能,然而未與酶結合的小受質可採用一致結合或是差別結合兩者中的一種。 這些效應引導大多數蛋白質採用差別結合機制以減少活化能,因此大多數蛋白質具有酶與過渡態的高度親和力。差別結合是由誘導契合機制所實行起來的 —— 受質首先與之相弱結合,然後酶改變其構象,增加了與過渡態的親和力並穩定這個過渡態,因此減少了達到過渡態所需的活化能。 需要澄清的是:誘導契合的概念並不能對催化加以科學的說明。即,化學催化被定義為在水中(沒有酶)非酶促情況下 Ea‡(當系統處於 ES‡的狀態)相對於 Ea‡發生降低。而誘導契合僅意味著在結合酶形態下壁壘會降低,但並沒有告訴我們使得反應壁壘降低的原因是什麼。 誘導契合可能有利於解釋:當競爭和干擾存在時可通過構象校對機制保證分子識別的精確性。 ## 過渡態的穩定機制 這些構象改變也可以用於使活性位點中的催化殘基靠近那些在反應中會被改變的受質中的化學鍵。在結合發生後,通過提供反應替代化學路徑的方法,一種或多種催化機制使得反應過渡態的能量降低。有六種可能的「越過壁壘」或「通過壁壘」的催化機制: ### 鍵扭曲催化
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酵素反应
這種作用對誘導契合結合有著主要影響,在該情況下酶對過渡態的結合力比對受質本身的結合力要強。這種作用誘導了結構重排,即將受質的鍵扭曲成一種接近過渡態的構象,因此降低了受質與過渡態之間的能量差距以幫助催化此反應。 然而,事實上,稱這種扭曲為「基態失穩效應」比「過渡態穩定效應」更貼切。此外,酶是非常靈活的並且自己不會有較大的形變效應。 除了受質中的鍵扭曲外,鍵扭曲同時可以被酶本身所採用以活化活性位點的殘基。 ### 臨近效應與定向效應 這個效應以使酶 - 受質相互作用的反應化學基團對齊並將它們靠在一起的方式加快了反應速率。這減少了反應物的熵,這使得連接反應或加成反應反應地更順利,當兩個反應物變為單個產物時,全部熵損失就會減少。 這個效應可以類比為增加了反應物濃度的效應。這種受質與反應物的結合賦予了這種反應分子內進行的特性,激增了反應速率。 然而,這種情況可能會變得更加複雜,因為現代計算研究已公認傳統的臨近效應例子並不與酶的熵效應直接掛鈎。並且,已發現最初的熵理論對催化定向效應熵的貢獻是被大大高估了的。 ### 涉及質子供體與受體的催化(酸鹼催化) 質子供體與受體,如酸或鹼,可以供出或接受質子,以使過渡態發展中電荷達到穩定。這是典型的活化親核與親電基團或是穩定離開基團的效應。組胺酸是常見的涉及到酸 / 鹼反應的殘基,因為其酸度係數接近於中性且因此可以既可作為質子的受體又可作為質子的供體。 許多涉及到酸 / 鹼催化的反應機制會採取基本上變動的酸度係數。這個酸度係數的變動可以通過殘基的局部微環境來實現。 酸度係數可被環境明顯地改變,在一定程度上在溶液中是鹼性的殘基也可能作為質子供體,並且反之亦然。 有必要澄清的是:酸度係數的改變完全是靜電機制的一部分。此外,上述例子中的催化效應主要與氧陰離子酸度係數的減少以及組胺酸酸度係數的增加有關,而質子自絲胺酸轉移到組胺酸上的作用並不是顯著的催化作用,因為它不是決定屏障的速率。 ### 靜電催化 帶電過渡態的穩定亦可以通過使活性位點中的殘基與中間產物之間形成離子鍵(或局部離子電荷相互作用)而達到。這些鍵來自於例如離胺酸、精胺酸、天門冬胺酸或麩胺酸等胺基酸上面的酸或鹼側鏈,或是來自於如鋅一類的金屬輔因子。金屬離子是特別有效的,並且可以將水的酸度係數減到足夠低以使其變為一個有效的親核試劑。
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酵素反应
系統計算機模擬研究確定了靜電效應到目前為止是對催化作用貢獻最大的效應。尤其是實踐已證明酶可以提供比水極性更大的環境,並且離子態過渡態是被固定偶極子所穩定的。這與水中過渡態的穩定情況很不相同,在後者的情況下水分子必須付出「重組能」,才得以使離子態和過渡態達到穩定。因此,催化作用是與酶預組織起來的極性基團相關的。 ### 共價催化 共價催化涉及到受質與活性位點殘基或是輔酶之間形成一個短暫存在的共價鍵。這使得在反應中多了一個額外的共價中間體,這有助於降低後面反應過渡態的能量。在反應之後的階段,共價鍵必須必須被打斷以使酶再生。在如胰凝乳蛋白酶和胰蛋白酶等的蛋白酶中發現了這一機制,在反應中形成了醯基酶中間產物。使用來自離胺酸殘基的自由胺形成施夫鹼的過程則是另外一種機制,就像在糖解過程中的醛縮酶一樣。 一些酶利用如磷酸吡哆醛(PLP)或硫胺素焦磷酸(TPP)之類的非胺基酸輔因子與反應物分子間反應形成共價中間產物。這樣為降低後面反應過渡態能量而形成的共價中間產物在功能上與反應物與活性位點中的胺基酸殘基形成共價中間產物是一樣的,都是為了達到穩定;而所不同的是輔因子有著允許帶著產物離開酶之功能然而胺基酸側鏈則不行。酶利用這樣輔因子的例子包括:依賴磷酸吡哆醛的酶天門冬胺酸轉胺酶和依賴硫胺素焦磷酸的酶丙酮酸去氫酶。 有必要澄清的是:共價催化有時僅相當於是利用一種特殊的機制,而不是真正的催化。例如,胰凝乳蛋白酶中連接到活潑絲胺酸分子上的共價鍵應被類比為已被充分理解的非催化溶液反應中連到親核試劑上的共價鍵。真正共價催化(在這種情況下能量壁壘比在相應非酶促溶液中的要低)理論是需要,例如,一個由酶基團連接到過渡態的局部共價鍵(例如一個非常強的氫鍵),並且這種效應對催化來說並貢獻並不明顯。 ### 量子隧穿效應 由於「通過壁壘」機制(量子隧穿效應)模型和觀察資料的出現,這些傳統的「越過壁壘」機制在某些情況下受到挑戰。一些酶運轉地比經典的 ΔG‡所預測的動力學參數還要快。在「通過壁壘」模型中,一個質子或電子可以隧穿過活化能壁壘。質子的量子隧穿效應已經在氧化色胺的芳香胺去氫酶中被觀察到。 有趣的是,量子隧穿效應似乎沒有對酶促反應有很大的幫助,因為隧穿效應對酶促反應與溶液中的非酶促反應同時做著貢獻。然而,隧穿貢獻(通常相較於經典的「越過壁壘」途徑的反應速率來說增加為原來的 1000 倍)對於生物有機體生存能力來說可能是關鍵因素。這強調了隧穿作用對生物的特別重要性。
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酵素反应
在 1971 年-1972 年間,首個酶促反應的量子力學模型被系統地闡述出來。 ## 催化機制的例子 在實踐中,大多數酶機理涉及到不同類型催化相結合在一起。 ### 磷酸丙醣異構酶 磷酸丙醣異構酶(EC 5.3.1.1)催化兩種丙醣磷酸異構物 —— 磷酸二羥丙酮與 D-3 - 磷酸甘油醛之間的可逆轉換。 ### 胰蛋白酶 胰蛋白酶(EC 3.4.21.4)是一種可以斷開蛋白質受質離胺酸與精胺酸胺基酸殘基之間鍵的絲胺酸蛋白酶。 ### 醛縮酶 醛縮酶(EC 4.1.2.13)催化果糖 - 1,6 - 二磷酸分解成甘油醛 - 3 - 磷酸與磷酸二羥丙酮。 ## 參考文獻 ## 延伸閱讀 ## 參見 * 酶活性測定 * 酶動力學 * 蛋白質動力學 * 量子隧穿效應 * 蛋白質水解地圖 * 時間分辨晶體學 ## 外部連結 * 維基共享資源上的相關多媒體資源:酶促反應
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重子数
**重子數**是粒子物理學中定義的一個量子數,常用 B 來表示。規定重子的重子數為 +1,反重子的重子數為 -1,其他粒子如輕子、介子、規範玻色子的重子數為 0。 根據夸克禁閉,組成粒子的夸克的色荷總和必須為零(即白色)。正常強子實現色荷為白色有三種方式: * 某種顏色的夸克與有著對應反顏色的反夸克,組成一個介子,其重子數為 0; * 三種不同顏色的夸克組成一個重子,其重子數為 1; * 三種不同反顏色的反夸克組成一個反重子,其重子數為 - 1 由於重子數這一概念是在夸克模型之前就被公認,所以粒子物理學沒有修改重子數的定義,而是把夸克的重子數定義為 1/3。重子數守恆實際上是夸克數守恆。 奇異強子是在強子基礎上增加具有匹配顏色 - 反顏色的**夸克對**形成。如五夸克態由匹配的能組成重子的三個夸克與匹配的能組成介子的一對夸克 - 反夸克組成,其重子數為 1。四夸克態由能組成介子的兩對夸克 - 反夸克組成,其重子數為 0。 ## 重子數守恆律 重子數是一個相加性量子數,在粒子物理學中,反應之前各粒子的重子數之和等於反應之後各粒子的重子數之和,這就是**重子數守恆定律**。 重子數守恆定律對於強交互作用、弱交互作用、電磁交互作用都是成立的,違反重子數守恆定律的反應是嚴格禁戒的。 重子數守恆定律的一個推論是在反應中,重子和反重子對是同時產生或湮滅的。 不過,重子數守恆定律在粒子物理學標準模型中是近似成立的,在極端條件下(如宇宙大爆炸初期),一個重子可以變成若干個輕子,從而破壞了重子數守恆與輕子數守恆。質子的衰變就是這樣一個例子,雖然人類還從來沒觀測到這一現象。 ## 參閱 * 重子不對稱性 * 重子 * 蓋爾曼 - 西島關係
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反粒子
**反粒子**是相對於正常粒子而言的,它們的質量、壽命、自旋都與正常粒子相同,但是所有的內部相加性量子數(比如電荷、重子數、奇異數等)都與正常粒子大小相同、符號相反。有一些粒子的所有內部相加性量子數都為 0,這樣的粒子叫做純中性粒子,反粒子就是它本身,比如光子、π0 介子等。 反粒子的概念首先是 1928 年由英國物理學家狄拉克在他的電洞理論中提出的。1932 年在宇宙射線中發現了正電子,證實了狄拉克的預言。1956 年美國物理學家歐文・張伯倫(Owen Chamberlain)在勞倫斯 - 伯克利國家實驗室發現了反質子。進一步的研究發現,狄拉克的電洞理論對玻色子不適用,因而不能解釋所有的粒子和反粒子。根據量子場論,粒子被看作是場的激發態,而反粒子就是這種激發態對應的複共軛激發態。 如果反粒子按照通常粒子那樣結合起來就形成了反原子。由反原子構成的物質就是反物質。 ## 參閱 * 反物質 * 量子場論 * 次原子粒子 * 粒子物理學
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P进复数
**$p$ 進數**(英語:p-adic number),是數論中的概念,也稱作**局部數體**,是有理數體拓展成的完備數體的一種。這種拓展與常見的有理數體 $\mathbb {Q} $ 到實數體 $\mathbb {R} $ 、複數域 $\mathbb {C} $ 的數系拓展不同,其具體在於所定義的「距離」概念。 $p$ 進數的距離概念建立在整數的整除性質上。給定質數 $p$ ,若兩個數之差被 $p$ 的高次冪整除,那麼這兩個數距離就「接近」,冪次越高,距離越近。這種定義在數論性質上的「距離」能夠反映同餘的訊息,使 $p$ 進數理論成為了數論研究中的有力工具。 $p$ 進數的概念首先由庫爾特・亨澤爾於 1897 年構思並刻畫,其發展動機主要是試圖將冪級數方法引入到數論中,但現今 $p$ 進數的影響已遠不止於此。例如可以在 $p$ 進數上建立 $p$ 進數分析,將數論和分析的工具結合起來,安德魯・懷爾斯對費馬大定理的證明中就用到了 $p$ 進數理論。此外, $p$ 進數在量子物理學、認知科學、計算機科學等領域都有應用。 ## 預備知識 ### 數系的拓展 數系是人類將自然中的數量關係抽象化得到的代數系統。最早建立的數系是帶有加法與乘法的自然數 $\mathbb {N} =\{0,1,2,3\cdots \}$ ,其後引入了負數、分數的概念,形成了有理數 $\mathbb {Q} $ 。 $\mathbb {Q} $ 是「最小的」能夠包容四則運算的代數系統,這樣的系統在近世代數中稱為域。 ### 度量 數系的拓展中,自然數繫到有理數系的拓展是基於代數運算的需求,而有理數繫到實數系的拓展則是拓撲學的需要。這裡的拓撲指的是為代數體系賦予「形狀」,定義「遠近」、「長短」等概念,是建立幾何和分析結構的基礎。一個常見的拓撲學方法是引入「距離」的概念,正式稱呼為度量。最直觀的定義是將兩個有理數的「距離」(度量) $d$ 定義為兩者之差的絕對值:   : $d(x,y)=|x-y|.$
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P进复数
兩個有理數之間的度量是一個非負的有理數。也即是說度量 $d$ 是一個從有理數體映射到非負有理數集合的二元函數: $\mathbb {Q} \times \mathbb {Q} \rightarrow \mathbb {Q} ^{+}=\{x\in \mathbb {Q} ;\;\;x\geqslant 0\}$ 。其中 $\mathbb {Q} ^{+}$ 的大小關係則是有理數體上定義的全序。這個度量基於歐幾里得幾何,叫做歐幾里得度量或絕對值度量。 ### 完備化 在 $\mathbb {Q} $ 上裝備了度量後,可以討論極限的概念。極限描述了一個數列在下標趨於無窮時的趨勢,是分析學的基礎。如果一個有理數列在下標趨於無窮時,數列的項與某個數 $l\in \mathbb {Q} $ 的距離可以小於任意給定的正有理數,就稱 $l$ 為此數列的極限。擁有極限的數列的項在下標趨於無窮時相互無限「靠近」。但反過來,這樣的數列不一定擁有有理數極限。比如說以下數列:   : ${\frac {1}{2}},{\frac {2}{3}},{\frac {3}{5}},{\frac {5}{8}},{\frac {8}{13}},\cdots $ 這說明有理數在表示長度和距離的時候是不完備的,存在著無法用有理數表達的長度。為此需要對有理數進行擴展,稱為完備化。
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P进复数
將 $\mathbb {Q} $ 完備化的拓撲方法由格奧爾格・康托提出。康托的方法依賴於現稱為柯西數列的概念。柯西數列是一種可以用任意「小」的「圓盤」覆蓋從某項起所有項的無窮數列。某個有理數數列 $(a_{n})_{n\in \mathbb {N} }\in \mathbb {Q} ^{\mathbb {N} }$ 是柯西數列,若且唯若對任意有理數 $\epsilon >0$ ,都存在自然數 $N_{\epsilon }\in \mathbb {N} $ ,使得對任意 $n,m>N_{\epsilon }$ ,都有 $d(a_{n},a_{m})<\epsilon $ 。康托承認每個這樣的有理數數列都收斂到某個極限,將實數定義為某個柯西數列的極限。顯然,對於所有有理數,都能找到一個以它為極限的柯西數列,比如常數數列。如果當兩個柯西數列 $(a_{n})_{n\in \mathbb {N} }$ 和 $(b_{n})_{n\in \mathbb {N} }$ 的差: $(a_{n}-b_{n})_{n\in \mathbb {N} }$ 收斂於 $0$ ,就稱這兩個數列等價,這樣就可以在所有的柯西數列中建立等價關係。而康托將所有的等價類的集合定義為實數集 $\mathbb {R} $ 。四則運算、絕對值度量和序關係「 $>$ 」都可以從有理數體自然誘導到 $\mathbb {R} $ 上。最重要的是,可以證明,所有 $\mathbb {R} $ 中元素構成的柯西數列都收斂到 $\mathbb {R} $ 中。這說明 $\mathbb {R} $ 是一個有序完備數體。 實數 $\mathbb {R} $ 作為 $\mathbb {Q} $ 的完備化是建立在絕對值度量上的,這種度量與日常現實中的歐幾里德式的「距離」概念吻合,符合直觀經驗。實數也因此成為描述現實世界的有力數學工具。 $p$ 進數與實數的不同在於,它是將絕對值度量改為另一種非直觀的度量對有理數進行完備化後得到的完備數體:8:50-51。 ## 構造 ### 分析方法 在有理數 $\mathbb {Q} $ 上引入絕對值度量,與此對應的柯西序列的等價類構成了完備數體 $\mathbb {R} $ 。 $p$ 進數則是在 $\mathbb {Q} $ 上引入不同的度量後進行完備化得到的完備數體。
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P进复数
給定質數 $p$ 。對任意 $x\in \mathbb {Q} $ ,將其寫為分數形式 $x={\frac {a}{b}}$ ,其中 $a$ 和 $b$ 是整數, $b$ 不等於 0。根據算術基本定理,每個整數都可以唯一分解為質因數的乘積。考察 $p$ 在 $a$ 和 $b$ 的質因數分解中的次數 $\operatorname {ord} _{p}(a)$ 和 $\operatorname {ord} _{p}(b)$ ,定義 $p$ 進賦值:90:1-2:   : $\nu _{p}(x)=\operatorname {ord} _{p}(a)-\operatorname {ord} _{p}(b).$ 同時約定 $\nu _{p}(0)=+\infty $ 。例如 $p=5$ , $x={\frac {63}{550}}$ ,則   : $\nu _{p}(x)=\operatorname {ord} _{p}(63)-\operatorname {ord} _{p}(550)=0-2=-2.$ 在此基礎上,可以定義度量映射以及其對應誘導的範數:59:2:90:   : $\operatorname {d} _{p}(x,y)=p^{-\nu _{p}(x-y)},\quad |x|_{p}=p^{-\nu _{p}(x)}.$ 例如   : $\operatorname {d} _{5}({\frac {64}{550}},{\frac {1}{550}})=5^{-\nu _{5}({\frac {63}{550}})}=5^{2},\quad \left|{\frac {63}{550}}\right|_{5}=5^{-\nu _{5}({\frac {63}{550}})}=5^{2}.$ 可以驗證映射 $\operatorname {d} _{p}$ 滿足度量所需的一切性質:59。因此,用與構造實數相同的手段,可以構造一個完備有序數體,記作 $\mathbb {Q} _{p}$ :90:60-61。 由奧斯特洛夫斯基定理, $\mathbb {Q} $ 的所有絕對值賦值或者等價於絕對值,或為平凡賦值,或等價於某質數 $p$ 的 $p$ 進賦值。從而 $\mathbb {Q} $ (關於某賦值)的完備化也只有這些:46:3。 ### 代數方法
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P进复数
用代數的方法,首先定義 $p$ 進整數環 $\mathbb {Z} _{p}$ ,然後構造其分式域,也可以得到 $p$ 進數體:92。 首先考慮由整數模 $p^{n}$ 的同餘類構成的環: $\mathbb {Z} /p^{n}\mathbb {Z} $ 。 $\mathbb {Z} /p^{n}\mathbb {Z} $ 與 $\mathbb {Z} /p^{n-1}\mathbb {Z} $ 之間存在自然的環同態:   : $\varphi _{n}:{\begin{cases}\mathbb {Z} /p^{n}\mathbb {Z} \to \mathbb {Z} /p^{n-1}\mathbb {Z} \\x\mapsto x{\bmod {p^{n-1}}}\end{cases}}$ 考察逆向鏈:   : $\cdots \;{\xrightarrow {\varphi _{n+1}}}\;\mathbb {Z} /p^{n}\mathbb {Z} \;{\xrightarrow {\varphi _{n}}}\;\mathbb {Z} /p^{n-1}\mathbb {Z} \;{\xrightarrow {\varphi _{n-1}}}\;\cdots \;{\xrightarrow {\varphi _{3}}}\;\mathbb {Z} /p^{2}\mathbb {Z} \;{\xrightarrow {\varphi _{2}}}\;\mathbb {Z} /p\mathbb {Z} $ 定義 $\mathbb {Z} _{p}$ 為其逆向極限: $\mathbb {Z} _{p}=\;\lim _{\longleftarrow }\left(\mathbb {Z} /p^{n}\mathbb {Z} ,\varphi _{n}\right)$ :56。 也就是說,每個 $p$ 進整數 $a\in \mathbb {Z} _{p}$ 被定義為以下的序列:   : $a=\{a_{1},a_{2},\cdots ,a_{n},\cdots \;\}$
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P进复数
其中 $a_{n}\equiv a_{n-1}{\pmod {p^{n-1}}}$ 。可以證明,這樣定義的 $p$ 進整數環 $\mathbb {Z} _{p}$ 與拓撲方法構造的 $\mathbb {Q} _{p}$ 中通過 $\mathbb {Z} _{p}=\{x\;;\;|x|_{p}\leqslant 1\}$ 定義的 $p$ 進整數環是同構的:91-92。 在以上的定義下,整數 $\mathbb {Z} $ 可以自然地嵌入 $\mathbb {Z} _{p}$ 中,每個整數都可以依照它在 $\mathbb {Z} /p^{n}\mathbb {Z} $ 的同餘類,唯一表示為一個 $p$ 進整數:91。例如在 $p=3$ 時,整數 3629 在 $\mathbb {Z} _{3}$ 中對應的 3 進整數可以表示為:   : $3629_{3}=\{2,2,11,65,227,713,1442,3629,3629,3629,\cdots \;\}.$ 從上面的例子可以看到,對於正整數, $a_{n}$ 將收斂於 $a$ 本身,對於負整數情況則複雜一些,例如,   : $-1_{3}=\{2,8,26,80,242,\cdots \;\}.$ 由於環同態 $\varphi _{n}$ 良好地保持了環的結構,所以這種結構自然地延伸到逆向極限 $\mathbb {Z} _{p}$ 中。直觀上可以理解為, $\mathbb {Z} _{p}$ 是 $\mathbb {Z} /p^{n}\mathbb {Z} $ 結構的極限。 $n$ 越大, $\mathbb {Z} /p^{n}\mathbb {Z} $ 和 $\mathbb {Z} _{p}$ 就越「相似」。 $p$ 進整數環 $\mathbb {Z} _{p}$ 中的單位元素顯然是 $1_{p}=\{1,1,\cdots ,1,\cdots \;\},$ 一個 $p$ 進整數 $a\in \mathbb {Z} _{p}=\{a_{1},a_{2},\cdots ,a_{n},\cdots \;\}$ 是(乘法)可逆元素若且唯若 $a_{1}$ 是 $\mathbb {Z} /p\mathbb {Z} $ 中的可逆元素:91。非可逆元素的元素都可以表達為:
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P进复数
: $a=p^{v_{p}(a)}u=\{p^{v_{p}(a)}u_{1},p^{v_{p}(a)}u_{2},\cdots ,p^{v_{p}(a)}u_{n},\cdots \;\},$ 其中 $u=\{u_{1},u_{2},\cdots ,u_{n},\cdots \;\}$ 是 $\mathbb {Z} _{p}$ 中的可逆元素, $v_{p}(a)$ 稱為 $p$ 進整數 $a$ 的(代數)賦值。可以看出,這個賦值和拓撲構造時的賦值是等價的。可以證明 $\mathbb {Z} _{p}$ 是特徵為 0 的整環。構造 $\mathbb {Z} _{p}$ 的分式域,可以證明其分式域(在恰當的拓撲同構的意義上)等於前面用拓撲方法構造的 $\mathbb {Q} _{p}$ :92。 ## 展開式與記數法 每個 $p$ 進數 $x\in \mathbb {Q} _{p}$ 都有唯一的展開式:57:   : $x={\frac {\alpha _{-k}}{p^{k}}}+{\frac {\alpha _{-k+1}}{p^{k-1}}}+\cdots +\alpha _{0}+\alpha _{1}p+\cdots +\alpha _{i}p^{i}+\cdots =\sum _{i=-k}^{\infty }\alpha _{i}p^{i}.$ 其中 $k$ 就是 $x$ 的 $p$ 進賦值 $\nu _{p}(x)$ , $a_{i}\in \{0,1,\cdots ,p-1\}$ , $a_{-k}\neq 0$ 。這一展開式在度量 $\operatorname {d} _{p}$ 下收斂到 $x$ :14。代數構造中 $p$ 進整數的數列表示的第 $N$ 項,等於其展開式前 $N$ 項的部分和。設 $p$ 進整數 $x$ 的數列表示為 $\{a_{1},a_{2},\cdots ,a_{n},\cdots \}$ ,其展開式為 $\sum _{i=0}^{\infty }\alpha _{i}p^{i}$ ,則   : $a_{N}=\sum _{i=0}^{N-1}\alpha _{i}p^{i}.$ 這說明 $p$ 進整數數列表示中,隨著項數增大,數列的項在 $\operatorname {d} _{p}$ 下收斂到 $p$ 進整數自身。 仿照有理數中 $p$ 進位的記數法,可以將 $p$ 進數 $x$ 記為:
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P进复数
: $x=\cdots \alpha _{i}\alpha _{i-1}\cdots \alpha _{1}\alpha _{0}.\alpha _{-1}\cdots \alpha _{-k+1}\alpha _{-k}$ :92, 稱為 $p$ 進數的 $p$ 進記法。 按 $\operatorname {d} _{p}$ 的定義, $x$ 的「大小」(範數)為 $p^{k}$ :92。也就是說,一個 $p$ 進數小數點後位數越多則越大。這個性質與實數正好相反。 ### 例子 從代數構造方法中可知,整數 $\mathbb {Z} $ 可以自然地嵌入 $\mathbb {Z} _{p}$ 中,因此非負整數在 $\mathbb {Q} _{p}$ 中表現為有限位數的 $p$ 進整數。其 $p$ 進記法和 $p$ 進位記數法雷同。例如當 $p=5$ 時,自然數 $438$ 記為: $3223_{5}$ 。負整數和分母不為 $p$ 的正整數次冪的分數在 $p$ 進記法中則表現為向左側延伸的無限循環:39。例如 ${\frac {1}{7}}$ 的 $p$ 進記法為:   : ${\frac {1}{7}}=\dots 2412032412033_{5}={\dot {2}}4120{\dot {3}}3_{5}\;$ 。 計算方法如下:   : ${\frac {5^{3}-6}{7}}=32_{5}\;,\quad {\frac {5^{9}-6}{7}}=32412032_{5}\;,\quad {\frac {5^{15}-6}{7}}=32412032412032_{5}\;,\;\cdots $   : $\Rightarrow -{\frac {6}{7}}=\lim _{k\to +\infty }-{\frac {6}{7}}+{\frac {5^{6k+3}}{7}}=\dots 32412032412032_{5}\;.\quad \left(\left|{\frac {5^{6k+3}}{7}}\right|_{5}={\frac {1}{5^{6k+3}}}\;{\xrightarrow {k\to +\infty }}\;0\;.\right)$
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P进复数
: $\Rightarrow {\frac {1}{7}}=-{\frac {6}{7}}+1=\dots 2412032412033_{5}={\dot {2}}4120{\dot {3}}3_{5}\;$ 。 如果有理數 $x$ 的分子或分母里含有 $p$ 的冪次,則可以仿照 $p$ 進位記數法的做法,先將其提出作為因數,寫成 $x=p^{k}{\frac {a}{b}}$ 的形式,將 ${\frac {a}{b}}$ 表達為 $p$ 進記法,然後移動小數點得到 $x$ 的 $p$ 進記法。例如要求 ${\frac {1}{175}}$ 的 $p$ 進記法,可以先將 ${\frac {1}{175}}$ 表示為 ${\frac {1}{175}}=5^{-2}{\frac {1}{7}}$ ,寫出 ${\frac {1}{7}}$ 的 $p$ 進記法後,將小數點向左移動兩位得到:   : ${\frac {1}{175}}={\dot {3}}2412{\dot {0}}.33_{5}$ 因此,分母為 $p$ 的正整數次冪的分數在 $p$ 進數中表現為有限小數。 ## 基本性質 $\mathbb {Q} _{p}$ 具有許多與 $\mathbb {R} $ 不同的特性,其中某些可能違反直觀直覺。舉例來說, $\mathbb {Q} _{5}$ 中不存在平方等於 7 的數(等價於實數中的 ${\sqrt {7}}$ ),但存在平方等於 - 1 的數(等價於複數中的虛數單位 $i$ )。一般來說,-1 在 $\mathbb {Q} _{p}$ 中有平方根,若且唯若 $p$ 除以 4 餘 1。對不相同的質數 $p$ 、 $q$ , $\mathbb {Q} _{p}$ 與 $\mathbb {Q} _{q}$ 不同構,並且它們的交集只有 $\mathbb {Q} $ 。每一個 $\mathbb {Q} _{p}$ 中的元素個數都是不可數的。 ### 拓撲性質 $\mathbb {Q} _{p}$ 上的範數 $|\cdot |_{p}$ 是一個超度量的範數。它不僅滿足三角不等式,而且滿足更強的關係:   : $|x+y|_{p}\leqslant \max\{|x|_{p},|y|_{p}\}.$
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P进复数
這說明,如果將 $\mathbb {Q} _{p}$ 想像成一個幾何空間,那麼其中的三角形的一邊長度總小於等於另外兩邊中較長者,也就是說所有的三角形都是銳角等腰三角形。這與實際中的歐式幾何空間完全不同。由此 $\mathbb {Q} _{p}$ 與 $\mathbb {R} $ 具有截然不同的拓撲性質:90。 * 在 $\mathbb {Q} _{p}$ 中,一個數列 $(x_{n})_{n\in \mathbb {N} }$ 收斂若且唯若 $x_{n+1}-x_{n}$ 趨於 0。一個無窮級數 $\scriptstyle \sum _{n\in \mathbb {N} }$ $u_{n}$ 收斂若且唯若 $u_{n}$ 趨於 0。 * 考慮 $\mathbb {Q} _{p}$ 中的一個「球」: $B_{r}(x_{0})=\{x\in \mathbb {Q} _{p}\;;\;|x-x_{0}|_{p}\leqslant r\}$ 。這個球即是開集,也是閉集。這個球中每一個點,都是球的球心。兩個球之間或者完全不相交,或者一個完全在另一個裡面:90。 * $\mathbb {Q} _{p}$ 上的拓撲是完全不連通的郝斯多夫空間:設有元素 $x\in \mathbb {Q} _{p}$ ,則包含 $x$ 的連通單元只有 $\{x\}$ .:90-91 * $\mathbb {Q} _{p}$ 是由 $\mathbb {Q} $ 完備化而得,因此 $\mathbb {Q} $ 在 $\mathbb {Q} _{p}$ 中稠密。不僅如此,任意給定有限個質數 $p_{1},p_{2},\cdots ,p_{k}$ 和正有理數 $\epsilon >0$ ,並在相應的 $p$ 進數體中各選定一個數: $\beta _{1}\in \mathbb {Q} _{p_{1}},\beta _{2}\in \mathbb {Q} _{p_{2}},\cdots ,\beta _{k}\in \mathbb {Q} _{p_{k}}$ 後,都可找到有理數 $\omega $ ,它與任一個 $\beta _{i}\in \mathbb {Q} _{p_{i}},\;\;i\in \{1,2,\cdots ,k\}$ 之間的距離都小於 $\epsilon $ 。
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P进复数
$p$ 進整數 $\mathbb {Z} _{p}$ 定義為所有範數不大於 1 的 $p$ 進數: $\mathbb {Z} _{p}=\{x\;;\;|x|_{p}\leqslant 1\}$ 。這說明 $\mathbb {Z} _{p}$ 就是 $\mathbb {Q} _{p}$ 的單位球:61:60。其「球面」為所有範數等於 1 的 $p$ 進整數集合: $\mathbb {Z} _{p}^{\times }=\{x\;;\;|x|_{p}=1\}$ ,亦即 $\mathbb {Z} _{p}$ 中所有可逆元素的集合:61。 $\mathbb {Z} _{p}$ 是緊緻的:93:64。所有的整數都是 $p$ 進整數,整數集合 $\mathbb {Z} $ 在 $\mathbb {Z} _{p}$ 中稠密:61:60。 * $\mathbb {Q} _{p}$ 中的任一個球 $B_{r}(x_{0})$ 都可以表達為 $x_{0}+p^{m}\mathbb {Z} _{p}$ ,其中的 $m$ 是使得 $p^{-m}\leqslant r$ 的最小整數:93:63。 * $\mathbb {Q} _{p}$ 是局部緊緻的:93:64。 ### 代數性質 代數上, $\mathbb {Q} _{p}$ 是 $\mathbb {Z} _{p}$ 的分式域。更準確地說, $\mathbb {Q} _{p}=\mathbb {Z} _{p}\scriptstyle \left[{\frac {1}{p}}\right]$ 。也即是說,對每一個 $x\in \mathbb {Q} _{p}$ ,都存在整數 $k$ ,使得 $p^{k}x\in \mathbb {Z} _{p}$ :62:92:36。
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P进复数
$\mathbb {Z} _{p}$ 是特徵為 0 的主理想整環。 $\mathbb {Z} _{p}$ 的非零理想只有主理想 $I_{k}=p^{k}\mathbb {Z} _{p}$ ,其中 $k$ 是任意自然數:61:6。它唯一的極大理想是 $I_{1}$ :60。根據同構基本定理, $\mathbb {Z} _{p}$ 對 $I_{1}$ 的商同構於有限體 $\mathbb {F} _{p}$ 。類似地, $\mathbb {Z} _{p}/p^{n}\mathbb {Z} _{p}$ 同構於 $\mathbb {Z} /p^{n}\mathbb {Z} $ :34。 實數體 $\mathbb {R} $ 只有一個真代數擴張,就是複數域 $\mathbb {C} =\mathbb {R} (i)$ 。 $\mathbb {C} $ 不僅是代數閉體,而且是完備的。體擴張 $\mathbb {C} /\mathbb {R} $ 的次數為 2。與此不同的是, $\mathbb {Q} _{p}$ 的任何有限擴張都不是代數封閉的, $\mathbb {Q} _{p}$ 的代數閉包是 $\mathbb {Q} _{p}$ 上的無限擴張,一般記作 ${\bar {\mathbb {Q} }}_{p}$ 。將 $\mathbb {Q} _{p}$ 上的拓撲拓延到 ${\bar {\mathbb {Q} }}_{p}$ 後會發現, ${\bar {\mathbb {Q} }}_{p}$ 並不是完備的空間。使用標準方法將其完備化後,得到的空間稱為 **$p$ 進複數**,記作 $\mathbb {C} _{p}$ 。 $\mathbb {C} _{p}$ 和複數域 $\mathbb {C} $ 是代數同構的,可以視為裝備了另一種拓撲結構(超度量)的複數域:94。 如果 $p$ 是奇數,那麼 $n$ 次單位根屬於 $\mathbb {Q} _{p}$ 若且唯若 $n$ 整除 $p$ -1。換句話說, $\mathbb {Q} _{p}$ 中由單位根構成的群只有 $\mathbb {U} _{p-1}$ 及其子群。 $p=2$ 時,單位根只有 1 和 - 1:110。 ## 應用 ### 數論
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P进复数
$p$ 進數對於同餘訊息有一種獨特的編碼方法,這在數論裏作用很大。例如,困擾數學家長達三百多年的費馬最後定理,終於在 1994 年由安德魯・懷爾斯使用 $p$ 進數理論證明,這是數學上的重大突破。懷爾斯因此獲得 2005 年度邵逸夫獎。 ### 量子物理 $p$ 進數剛出現時,學者們最初認為這理論屬於純數學領域,毫無任何實用價值。但 1968 年,兩位純數學研究者 A. Monna 和 F. van der Blij 首先提出將 $p$ 進數應用到物理學中。1972 年,E. Beltrametti 和 G. Cassinelli 探討了一種取值為 $p$ 進數的量子邏輯狀態模型。進入二十世紀八十年代後, $p$ 進數在量子物理學中的應用愈為廣泛。首先湧現的是 $p$ 進弦和 $p$ 進超弦模型。量子物理學家在這些模型中使用與實數拓撲性質不同的 $p$ 進數,以構建出不同的時空結構,描述在普朗克尺度下與大尺度完全不同的物理現象和行為。在普朗克尺度下,基於實數的模型無法很好的描繪出某些量子特性,而 $p$ 進數體的某些性質,比如說無序性,和普朗克尺度下的物理特質相近。 $p$ 進數量子物理學中的應用也帶動了數學中對 $p$ 進數的研究。例如 $p$ 進弦論的研究促使數學家展開了對 $p$ 進數上的分布理論、微分方程式及偽微分方程式(pseudodifferential equation)、機率論以及 $p$ 進數上相應希爾伯特空間(裝備了額外結構的 $\mathbb {C} _{p}$ )中的算子譜理論等多方面的研究。 ### 訊息編碼 $p$ 進數的數列展開表示可以被用於訊息的編碼。因此 $p$ 進數可以被用來描述很多訊息處理的過程,在認知科學、心理學和社會學研究中出現。 ### $p$ 進動態系統理論 算術動態系統是二十世紀九十年代提出的數學理論,整合了動態系統及數論。傳統的離散動態系統會探討迭代函數在複數平面或是實數中的性質。算術動態系統則探討多項式或解析函數在整數、有理數、 $p$ 進數及幾何點中的迭代特性。 $p$ 進數動態系統在計算機科學領域中的直線式程序(straight-line programs)問題、數值分析與模擬中的偽隨機數問題、密碼學中的流加密問題上都有重要作用。在計算機科學和自動機理論中, $p$ 進遍歷理論可以幫助快速製造大拉丁方。後者在實驗設計、軟體測試和通信理論中都有良多應用。 ## 參見
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P进复数
* p 進數分析 * 亨澤爾引理 * 馬勒定理 ## 注釋 ## 參考來源 ## 外部連結 * 埃里克・韋斯坦因. p-adic Number. MathWorld. * p-adic integers. PlanetMath. * Springer 在線數學百科全書上 _p_ 進數的資料(頁面存檔備份,存於網際網路檔案館)。
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史瓦茲旭爾得度規
**史瓦西度規**(**Schwarzschild metric**),又稱史瓦西幾何、史瓦西解,是卡爾・史瓦西於 1915 年針對廣義相對論的核心方程式 —— 愛因斯坦場方程式 —— 關於球狀物質分布的解。根據伯考夫定理(Birkhoff's theorem),史瓦西解可說是愛因斯坦方程式最一般的球對稱真空解。這樣的解又可被稱作**史瓦西黑洞**,此種幾何對應一個靜止不旋轉、不帶電荷之黑洞。在物理上它可以對應任何球對稱星球外部的的時空幾何。因此常常用於近似於不同旋轉緩慢(遠小於光速)的天體的重力場,例如恆星、行星等。 在史瓦西解中,只有一個刻劃該解的參數,可以看成是史瓦西黑洞的質量。因此某方面來說,一個史瓦西黑洞只能用他的質量來區別,兩質量相等的史瓦西黑洞在物理上是完全一樣的。史瓦西解有個很重要的超曲面叫做事件視界,在事件視界內發生的事件無法被事件視界外的觀測者觀測到。它並非任何物理上實際存在的介面,事實上,如果有一觀測者通過事件視界,他不會感受到任何異狀。但是一旦通過事件視界,觀測者將無法回到黑洞外部。視界的大小由史瓦西半徑描述,質量為 $M$ 的黑洞,史瓦西半徑為   : $r=2MG/c^{2}.$ 此外史瓦西解另一個重要的特徵是它包含了奇異點。在奇異點時空的曲率發散,古典的廣義相對論並不適用在奇異點上,故實如何在物理上詮釋奇異點並不明確。可能需要一個可以考慮量子效應的量子重力理論才能給出好的解釋。任何通過事件視界的類時 (time-like) 的觀測者都會碰到奇異點。 ## 史瓦西度規 利用史瓦西座標,**史瓦西度規**可以表示成如下形式:   : $\mathrm {d} s^{2}=c^{2}\left(1-{\frac {2GM}{c^{2}r}}\right)\mathrm {d} t^{2}-\left(1-{\frac {2GM}{c^{2}r}}\right)^{-1}\mathrm {d} r^{2}-r^{2}\mathrm {d} \Omega ^{2},$ 其中 $G$ 是重力常數, $c$ 是光速, $M$ 解釋為產生重力的物體之質量,而   : $\mathrm {d} \Omega ^{2}=\mathrm {d} \theta ^{2}+\sin ^{2}\theta \mathrm {d} \varphi ^{2}\,$ 是二維球面 (2-sphere) 上的標準度規(即:立體角的標準單元)。 定義
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史瓦茲旭爾得度規
: $r_{s}={\frac {2GM}{c^{2}}}$ 稱作**史瓦西半徑**,在史瓦西解中扮演關鍵角色。 史瓦西度規實際上是真空場方程式的解析解,意思上表示其僅在重力來源物體**以外**的地方能夠成立。也就是說,對一半徑 $R$ 之球狀體,此解僅在 $r>R$ 時成立。然而,若 $R$ 少於史瓦西半徑 $r_{s}$ ,此時解描述的是一個黑洞。為了要描述重力來源物體內部與外部兩者的重力場,史瓦西解必須跟一個適當的內部解在 $r=R$ 處連續。而內部解的形式多樣,例如如果把星球視為不可壓縮流體,則內部解為史瓦西內度規 (Interior Schwarzschild metric)。 此外,注意到當 $M\to 0$ 或 $r\rightarrow \infty $ ,史瓦西度規近似為閔可夫斯基時空:   : $\mathrm {d} s^{2}=c^{2}\mathrm {d} t^{2}-\mathrm {d} r^{2}-r^{2}\mathrm {d} \Omega ^{2}.\,$ 直觀上說,這樣的結果是合理的:既然遠離了重力來源物體,時空理應變得近乎平直。具有這樣性質的度規稱作是漸進平直 (asymptotically flat)。 ## 歷史 如其名,卡爾・史瓦西是第一個發現史瓦西度規的人。該精確解發現於 1915 年底,旋即在 1916 年初發表,只比廣義相對論本身晚幾個月發表而已。不過史瓦西在發表論文後不久便死於在第一世界大戰服役所得的疾病。 史瓦西解是除了顯然的平空間解之外,第一個為世人所知的愛因斯坦方程式精確解。而在 1916 年,約翰內斯・德羅斯特以更簡單,更直接的方式獨立推導出了史瓦西解。 在廣義相對論發表之初,物理學家對史瓦西解,或其他解內的奇異點的意義不甚了解。事實上,在史瓦西的文章中,他將現今認為是事件視界的那點設為徑向座標的原點 ,而又在文章中引進了一個輔助座標,我們現今稱它為的史瓦西徑向座標,也就是上節公式中的 $r$ 座標。 一個更完整的分析在隔年由大衛・希爾伯特給出,並且指出了兩個可能的奇異點 $r=0$ 和 $r=r_{s}$ 。當時一般認為 $r=0$ 為一個真正幾何上的奇異點,但是對於 $r=r_{s}$ 的本質仍不清楚。
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史瓦茲旭爾得度規
保羅・班勒衛和阿爾瓦・古爾斯特蘭德分別在 1921 和 1922 年獨立推導出愛因斯坦方程式球對稱的真空解,他們在 $r=r_{s}$ 處並沒有奇異點。在那時他們並不了解這個解是史瓦西解在其他座標下的形式。事實上,他們還用此解說明廣義相對論是有缺失的。如今這個解被稱為古爾斯特蘭德 - 班勒衛座標 (Gullstrand–Painlevé coordinates),顯示他只是史瓦西解的一個座標形式而已。 在 1924 年,亞瑟・愛丁頓構造出了第一個座標變換,使得史瓦西解在 $r=r_{s}$ 處沒有奇異點,也就是愛丁頓 - 芬克斯坦座標 (Eddington–Finkelstein coordinates)。但是他似乎沒有意識到這個發現重要性。隨後在 1932 年,喬治・勒梅特給出了另一個在 $r=r_{s}$ 處沒有奇異點的座標 (勒梅特座標,Lemaître coordinates),並且意識到 $r=r_{s}$ 處不是物理上真正的奇異點。而在 1939 年,霍華德・羅伯遜證明了一個自由墜落的觀測者,只會在有限的原時通過 $r=r_{s}$ 處,雖然對一個在遠處的觀測者來說,需要耗費無限久的時間。 在 1950 年,約翰・辛格找出了整個史瓦西解的最大解析延拓形式,並且再次證明了 $r=r_{s}$ 處奇異點只是個座標選擇造成的假象。之後類似的最大解析延拓解也獨立的被塞凱賴什・哲爾吉和馬丁・克魯斯卡爾發現。 而這座標如今被稱為克魯斯卡爾 - 塞凱賴什座標 (Kruskal-Szekeres coordinates)。這個座標比辛格給出的座標還要簡單許多,但是兩者都是一套可以完整覆蓋所有史瓦西解的座標系統。話雖如此,可能是因為發表的期刊的關係,勒梅特和辛格的論文並沒有受到學界注意,使得眾多知名的物理學家,包括愛因斯坦,都認為在史瓦西半徑上的奇異點是實際存在的。 隨後到了 1960 年代,一些更高等的數學工具例如微分幾何進入了廣義相對論的研究後,才有更多的進展。利用微分幾何的概念,勞倫茲流形上的奇異點可以被精確的定義。而這讓整個史瓦西度規上的奇異點完全地的確立下來。 並且正式的證明了 $r=r_{s}$ 處只是一時空上的事件視界而已。 ## 奇異點和事件視界
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史瓦茲旭爾得度規
史瓦西度規在 $r=0$ 和 $r=r_{s}$ 處是發散的,表示他們可能是奇異點。一般而言,史瓦西解只能描述一個球對稱星體外部的時空結構, 因此如果星體半徑 $R>r_{s}$ 的話就無任何問題。對於一般的恆星,這條件幾乎在所有時候都會滿足。例如太陽半徑大約為 700,000 公里,但是其史瓦西半徑大約只有 3 公里。 實際上, $r=r_{s}$ 處是一個事件視界,他將整個時空分成兩個區域。 史瓦西外部解 (Exterior Schwarzschild solution),也就是 $r>r_{s}$ 的區域。它可以描述星體的外部結構。而史瓦西內部解 (Interior Schwarzschild solution) 則為 $0\leq r<r_{s}$ 的區域。他們是兩個互不重疊的局部坐標系 (又稱為座標卡,coordinate chart),並且可視為互相獨立的解。在 $r=r_{s}$ 的地方並非是一個真實的奇異點。度規會發散是因為我們選了一個不恰當的座標系統,如果改用其他的座標系統,例如克魯斯卡爾 - 塞凱賴什座標,則在 $r=r_{s}$ 處就不會發散。而使用這樣的座標系統則可以讓我們把史瓦西外部解延伸到史瓦西內部解。 史瓦西內部解是一個完全合法的愛因斯坦方程式解,但是他有許多有趣的性質。例如說,在內部裡面徑向座標 $r$ 是類時的,而時間座標 $t$ 是類空間的。也就是說,觀測者不可能維持在等徑向距離移動 ( $r$ 是常數)。事實上因為觀測者的未來光錐永遠指向 $r$ 變小的方向,所以任何在這個區域的觀測者都終將會碰到 $r=0$ 處 (奇異點)。因此 $r=r_{s}$ 處可以看成是一個界線,任何觀測者進入了這個界限之後將再也無法脫離黑洞,而任何在 $r>r_{s}$ 的觀測者也無法接受到來自 $r<r_{s}$ 處的訊息。 相對於 $r=r_{s}$ 處的事件視界,在 $r=0$ 的地方是一個真正物理上的奇異點,又稱為重力奇異點 (Gravitational singulartiy)。要證明他是真正的奇異點我們可以檢查幾個重要的座標不變量是否發散,例如柯瑞奇曼純量 (Kretschmann scalar)。而我們發現史瓦西度規的 柯瑞奇曼純量 是: $$
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史瓦茲旭爾得度規
R^{\alpha \beta \gamma \delta }R_{\alpha \beta \gamma \delta }={\frac {12r_{\mathrm {s} }^{2}}{r^{6}}}={\frac {48G^{2}M^{2}}{c^{4}r^{6}}}\, $$ 可以看得出來它在 $r=0$ 處是發散的,因此這是一個真正的奇異點。愛因斯坦方程式無法描述此處的時空性質,物理學家也無法確定在在奇異點會發生甚麼事,或者它代表甚麼意義。一般相信需要一個完整的量子重力理論,或者一個考慮量子修效應的半古典重力才能解釋重力奇異點的現象。在過去物理學家認為有這樣一個有重力奇異點的解是沒有物理意義的。但是隨著人們對廣義相對論有更深入的了解之後,他們意識到了這種有引力奇異點的解是很一般的現象。史瓦西度規的奇異點不是一個特殊的例外。 ## 其他座標系統 除了上述的用的史瓦西座標之外,史瓦西度規也可以用其他的座標系統表示。不同的座標系統強調史瓦西解不同的特性。以下列出幾個常見的座標系統。注意在這裡光速設為 1,亦即 $c=1$ ,而 $$ d\Omega ^{2}=d\theta ^{2}+\sin ^{2}\theta \,d\varphi ^{2} $$ 是二維球面 (2-sphere) 上的標準度規。 ### 愛丁頓 - 芬克斯坦座標 它的形式有兩種,分別為向內型和向外型。向內的座標為: $$ ds^{2}=-\left(1-{\frac {r_{\mathrm {s} }}{r}}\right)\,dv^{2}+2\,dv\,dr+r^{2}\,d\Omega ^{2} $$ 而向外的座標為: $$ ds^{2}=-\left(1-{\frac {r_{\mathrm {s} }}{r}}\right)\,du^{2}-2\,du\,dr+r^{2}\,d\Omega ^{2} $$ 他們在史瓦西半徑都是解析的,其中向內型的座標延伸到未來事件視界,而向外型的座標延伸到過去事件視界。 ### 各向同性座標 它的座標形式為: $$
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史瓦茲旭爾得度規
ds^{2}=-{\frac {\left(1-{\frac {r_{\mathrm {s} }}{4R}}\right)^{2}}{\left(1+{\frac {r_{\mathrm {s} }}{4R}}\right)^{2}}}\,{dt}^{2}+\left(1+{\frac {r_{\mathrm {s} }}{4R}}\right)^{4}\,\left(dx^{2}+dy^{2}+dz^{2}\right) $$ 其中 $R={\sqrt {x^{2}+y^{2}+z^{2}}}$ 。它的光錐在等時間的切片上是同向的。 ### 克魯斯卡爾 - 塞凱賴什座標 它的座標形式為: $$ ds^{2}=-{\frac {4r_{\mathrm {s} }^{3}}{r}}e^{-{\frac {r}{r_{\mathrm {s} }}}}\,\left(dT^{2}-dR^{2}\right)+r^{2}\,d\Omega ^{2} $$ 其中 $r^{2}=r^{2}(T,R)$ 為 $R$ 和 $T$ 的函數,它滿足以下的隱式方程式: $$ T^{2}-R^{2}=\left(1-{\frac {r}{r_{\mathrm {s} }}}\right)e^{\frac {r}{r_{\mathrm {s} }}} $$ 此度規一樣在史瓦西半徑處是解析的,而且它是整個史瓦西解的最大解析延拓形式。 ### 其他 此外還有一些比較少用到的座標形式: * 勒梅特座標 (Lemaître coordinates) $ds^{2}=-dT^{2}+{\frac {r_{\mathrm {s} }}{r}}\,dR^{2}-r^{2}\,d\Omega ^{2}$ * 古爾斯特蘭德 - 班勒衛座標 (Gullstrand–Painlevé coordinates) $ds^{2}=-\left(1-{\frac {r_{\mathrm {s} }}{r}}\right)\,dT^{2}+2{\sqrt {\frac {r_{\mathrm {s} }}{r}}}\,dT\,dr-dr^{2}-r^{2}\,d\Omega ^{2}$ 它們的特點都是在史瓦西半徑上是解析的。 ## 封閉軌道
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史瓦茲旭爾得度規
對於一個在史瓦西黑洞自由運動的物體,在恰當的起始條件之下可能可以有封閉圓形軌道。這樣的軌道存不存在取決於物體離黑洞的距離。半徑為 $r>3r_{s}$ 的軌道是存在且穩定的。而半徑為介於 $1.5r_{s}$ 和 $3r_{s}$ 之間的軌道存在,但是不穩定。而半徑小於 $1.5r_{s}$ 的軌道是不存在的。在軌道半徑趨近於最小值 $1.5r_{s}$ 時該物體的速度會趨近於光速。當然物體還是可以在擁有比 $1.5r_{s}$ 還要小的軌道,但是此時必須對物體施加外力讓它不掉進黑洞裡。 對於非圓形的軌道,物體的運動也會和古典牛頓重力預測的有所不同:物體不再會是封閉的原軌跡。定性而言,物體在近日點附近的時間會相較於古典重力預測的比較長。而一個物體掉進黑洞永遠不會再出來可以看成是這個特性的極端情況。 ## 曲率張量 史瓦西度規的里奇曲率純量和里奇曲率張量皆為零,但是他的黎曼曲率張量則不一定為零,不為零的分量有:   : $R^{t}{}_{rrt}=2R^{\theta }{}_{r\theta r}=2R^{\phi }{}_{r\phi r}={\frac {r_{s}}{r^{2}(r_{s}-r)}},$   : $2R^{t}{}_{\theta \theta t}=2R^{r}{}_{\theta \theta r}=R^{\phi }{}_{\theta \phi \theta }={\frac {r_{s}}{r}},$   : $2R^{t}{}_{\phi \phi t}=2R^{r}{}_{\phi \phi r}=-R^{\theta }{}_{\phi \phi \theta }={\frac {r_{s}\sin ^{2}\theta }{r}},$   : $R^{r}{}_{trt}=-2R^{\theta }{}_{t\theta t}=-2R^{\phi }{}_{t\phi t}=c^{2}{\frac {r_{s}(r_{s}-r)}{r^{4}}}$ 注意其他可以用曲率張量對稱性得到的分量不列在此表內。 ## 相關條目 * 愛因斯坦場方程式 * 白洞 * 黑洞 * 萊斯納 - 諾德斯特洛姆度規 (帶電,無角動量的解) * 克爾度規 (不帶電,有角動量的解) * 克爾 - 紐曼度規 (帶電,有角動量的解) * 托爾曼-歐本海默-沃爾科夫方程式 (描述一個球對稱,由均向物質所造成的度規的方程式)
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史瓦茲旭爾得度規
* 史瓦西半徑 ## 參考文獻
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Organic_light-emitting_diode
**有機發光二極體**(英語:Organic Light-Emitting Diode,縮寫:**OLED**)又稱**有機電激發光顯示**(英語:Organic Electroluminescence Display,縮寫:**OELD**)、**有機發光半導體**,OLED 技術最早於 1950 年代和 1960 年代由法國人和美國人研製,其後由美國柯達及英國劍橋大學加以演進,日本 SONY 及韓國三星和 LG 等公司於 21 世紀開始量產,現在的市場都趨近於 OLED 但是在壽命上比 LCD 短。 OLED(有機發光二極體)與 TFT-LCD(薄膜電晶體液晶顯示器)為不同類型的產品,OLED 具有自發光性、廣視角、高對比、低耗電、高反應速率、全彩化及製程簡單等優點,但相對的在大面板價格、技術選擇性 、壽命、解析度、色彩還原方面便無法與 TFT-LCD 匹敵,有機發光二極體顯示器可分單色、多彩及全彩等種類,而其中以全彩製作技術最為困難。 OLED 顯示器依驅動方式的不同又可分為被動式(Passive Matrix,PMOLED)與主動式(Active Matrix,AMOLED)。 ## 歷史 最早的 OLED 技術研發開始於 1950 年代的法國南茜大學,法國物化學家安德烈・貝納諾斯獲譽為「OLED 之父」,最早的實用性 OLED 於 1987 被柯達公司的香港人鄧青雲和美國人史蒂夫・范・斯萊克兩人發現。 實用性的有機發光二極體技術研究的其中一名著名研究員是本港知名科學家鄧青雲博士,於英屬哥倫比亞大學得到化學理學士學位,於 1975 年在康奈爾大學獲得物理化學博士學位,另一位則是來自羅徹斯特理工學院的美國人史蒂夫・范・斯萊克,於 1979 年加入柯達公司。鄧青雲自 1975 年開始加入柯達公司 Rochester 實驗室從事有機發光二極體的研究工作,在意外中發現有機發光二極體。1979 年的一天晚上,他在回家的路上忽然想起有東西忘記在實驗室,回到實驗室後,他發現在黑暗中的一塊做實驗用的有機蓄電池在閃閃發光,從而開始了對有機發光二極體的研究。1987 年,鄧青雲和同事史蒂夫・范・斯萊克成功地使用類似半導體 PN 結的雙層有機結構第一次作出了低電壓、高效率的光發射器。為柯達公司生產有機發光二極體顯示器奠定了基礎。OLED 英文名為 Organic Light-Emitting Diode,縮寫:OLED),中文名「有機發光二極體」都是鄧青雲命名的。
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Organic_light-emitting_diode
到了 1990 年,英國劍橋大學物理系的卡文迪許實驗室也成功研製出高分子有機發光原件,並解決了 OLED 穩定性及壽命過短的問題。1992 年劍橋大學成立的顯示技術公司 CDT(Cambridge Display Technology),這項發現使得有機發光二極體的研究走向了一條與柯達完全不同的研發之路。OLED 最大的優勢是無需背光源,可以自發光可做得很薄,可視角度更大、色彩更富、節能顯著、可柔性彎曲等等。可廣泛利用在各個領域。目前 OLED 更多使用 AMOLED 技術,在 2013 年的柏林國際電子消費品展(IFA)上,出現了曲面的 OLED 電視並引起關注。 ## 結構 有機發光二極體基本結構是由一薄而透明具半導體特性之銦錫氧化物(ITO),與電力之正極相連,再加上另一個金屬陰極,包成如三明治的結構。整個結構層中包括了:電洞傳輸層(HTL)、發光層(EL)與電子傳輸層(ETL)。當電力供應至適當電壓時,陽極空穴與陰極電子便會在發光層中結合,產生光子,依其材料特性不同,產生紅、綠、藍三原色,構成基本色彩。OLED 的特性是自發光,不像薄膜電晶體液晶顯示器需要背光,因此可視度和亮度均高,且無視角問題,其次是驅動電壓低且省電效率高,再加上反應快、重量輕、厚度薄,構造簡單,成本低等特點,被視為 21 世紀最具前途的產品之一。 ## 驅動方式 OLED 也與 LCD 一樣其驅動方式也分為主動和被動式兩種。被動式下依照定位發光點亮,類似郵差寄信;主動式則和薄膜電晶體液晶顯示器相同,在每一個有機發光二極體單元背增加一個薄膜電晶體,發光單元依照電晶體接到的指令點亮。簡言之,主動/被動矩陣分法,主要指的是在顯示器內打開或關閉像素的電子開關型式。
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Organic_light-emitting_diode
典型的 OLED 由陰極、電子傳輸層、發光層、電洞輸運層和陽極組成。電子從陰極注入到電子輸運層,同樣,電洞由陽極注入進空穴輸運層,它們在發光層重新結合而發出光子。與無機半導體不同,有機半導體(小分子和聚合物)沒有能帶,因此電荷載流子輸運沒有廣延態。受激分子的能態是不連續的,電荷主要通過載流子在分子間的躍遷來輸運。因此,在有機半導體中,載流子的移動能力比在矽、砷化鎵、甚至無定型矽的無機半導體中要低幾個數量級。 在實際的 OLED 中,有機半導體典型的載流子移動能力為 10-3~10-6cm2/V・S。因為載流子移動能力太差,OLED 器件需要較高的工作電壓。如一個發光亮度為 1000cd/m2 的 OLED,其工作電壓約為 7~8V。因為同樣的原因,OLED 受空間電荷限制,其注入的電流密度較高。 通過一厚度為d的薄膜的電流密度由下式定義:   : J=(9 / 8)e M (V2/d3)   : 式中e是電荷常數、M是載流子遷移率、V為薄膜兩端的電壓。 在一般的 OLED 中,全部有機膜的厚度約為 1000 囝 。實際上,有機發光二極體的發光功率與電流有 J・Vm 的關係,其中 m 2。Burrows 和 Forrest 製得的 TPD/Alq 器件的m高達9,他們認為,m值大是因為「阱」(或稱極化子)的緣故。最近,他們又証實m具有很強的溫度依賴性,並且電荷是通過「阱」來輸運的。 在發光層中,摻雜客體螢光染料能極大地提高 OLED 的效能和特性。例如,只要摻雜 1% 的紅色螢光染料 DCM、Alq 式機發光二極體的最大發射峰即可從 520nm 遷移到 600nm;摻雜少量的 MQA(一種綠色染料)將使機發光二極體的效率提高 2 至 3 倍,在同樣的亮度下工作壽命可提高 10 倍。 有機發光二極體所用的物料是有機分子或高分子材料。 ## 器件效率 迄今為止,發綠光的有機發光二極體是最有效的器件。Tang 曾報導,用香豆素摻雜 Alq 的器件具有 5~6lm/W的效率。據文獻報導,效率最大的發綠光的有機發光半導體是由 Sano 製成的,用 Bebq 作為 HTM,其效率為 15lm/W。與發綠光的 OLED 比較,對發紅光和藍光的 OLED 的研究工作少得多。
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Organic_light-emitting_diode
目前已知的,效率最好的發藍光的 OLED 是由 Idemitsu 的 Hosokawa 等人研製的,其發光效率為 5.0lm/W,對應的表面量子效率為 2.4%。據 Tang 等人報導,將 DCM 染料攙入 Alq 製成了發紅光的 OLED 器件,其發光效率為 2.5lm/W。 需要說明的是,上述文獻所報導的發光效率,都是在發光強度約為 100cd/m2 或更小的條件下測得的。而實際應用的有機發光半導體是由多路驅動的,最大的發光強度要高一些。因此,顯示象素會被驅動到很高的發光強度,導致發光效率下降。也就是說,隨著發光亮度增加,發光效率將因驅動電壓的增加而降低。發綠光的有機發光半導體,在發光亮度為 10,000cd/m2 時,其發光效率降為 2lm/W,只有低亮度下的 30%。發紅光和藍光的有機發光半導體,其發光效率隨著發光亮度的增加降低得更多。因此,有機發光半導體技術可能更適用於不需要有源矩陣驅動的小尺寸、低顯示容量的顯示器件。 * 器件的壽命和衰變 在過去的幾年中,對有機發光半導體器件的壽命有過一些報導。但由於每個實驗室測量器件壽命的方法不同,無法對這些數據進行有意義的比較。在報導中,應用最多的測量器件壽命的方法,是在器件維持一恆定電流的條件下,測量從初始亮度下降至一半亮度的時間。據柯達公司的 VanSlyke 報導,亮度在 2000cd/m2 時,器件的工作壽命達到了 1000 小時。Sano 也報導了,在 TPD 中摻雜紅熒烯得到的器件,其初始亮度為 500cd/m2、半亮度壽命為 3000 小時。對壽命進行比較的最佳量值是亮度和半亮度壽命的乘積。據報導,該量值對使用壽命最長的器件是:綠光為 7,000,000cd/m2-hr;藍光為 300,000cd/m2-hr;紅─橙色為 1,600,000cd/m2-hr。一個雙倍密封的有機發光半導體器件的儲存壽命約為5年。 ## 特色與關鍵技術 過去的市場上有機發光半導體一直沒辦法普及,主要的問題在於早先技術發展的有機發光半導體樣品大多是單色居多,即使採用多色的設計,其發色材料和生產技術往往還是限制了有機發光半導體的發色數。實際上有機發光半導體的影像產生方法和 CRT 顯示一樣,皆是藉由三色 RGB 畫素拼成一個彩色畫素;因為有機發光半導體的材料對電流接近線性反應,所以能夠在不同的驅動電流下顯示不同的色彩與灰階。
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Organic_light-emitting_diode
* OLED 核心可以做得很薄,厚度爲目前液晶的 1/3,加上有機發光半導體爲全固態組件,抗震性好,能適應惡劣環境。 * OLED 主要是自體發光的,讓其幾乎沒有視角問題;與 LCD 技術相比,即使在大的角度觀看,顯示畫面依然清晰可見。OLED 的元件為自發光且是依靠電壓來調整,反應速度要比液晶元件來得快許多,比較適合當作高畫質電視使用。2007 年底 SONY 推出的 11 吋 O 有機發光半導體電視 XEL-1,反應速度就比 LCD 快了 1000 倍。 * OLED 對低溫的適應能力強。舊有的液晶技術在零下 75 度時,即會破裂故障,有機發光半導體只要電路未受損仍能正常顯示。 * OLED 的效率高,耗能較液晶略低還可以在不同材質的基板上製造,甚至能成製作成可彎曲的顯示器,應用範圍日漸增廣。 OLED 與 LCD 比較之下較占優勢,早期 OLED 的使用壽命仍然難以達到消費性產品(如 PDA、行動電話及數位相機等)應用的要求,但近年來已有大幅的突破,許多行動電話的螢幕已採用 OLED,且在價格上已經和 LCD 達到黃金交叉點,成本已經略低於 LCD。 ## 材料技術 ### 小分子 小分子的高效有機發光二極體首先被在伊士曼柯達公司的鄧青雲博士等人開發。雖然該術語的 SM-OLED 中也使用,術語 OLED 傳統特指這種類型的器件。 ### 聚合物發光二極體 高分子發光二極體(PLED),也是發光聚合物(LEP),包含當連接到外部電壓而發光的電致發光導電聚合物。它們被用作全光譜彩色顯示器裡面的薄膜。聚合物 OLED 是相當有效率的,並且對於光產生的量只需要一個相對較小的的功率。 ### 磷光材料 **PHOLED**,全名 Phosphorescent organic light-emitting diode, 是指**磷光有機電激發光二極體**,OLED 的發光模式之一。近年來隨著 PHOLED 的蓬勃發展,目前已成為許多學術研究單位積極研發的物件。 PHOLED 具有高亮度及高效率,有較長的生命期,內部量子效率接近 100%, 大量降低顯示器的功耗。與磷光材質相比,摻雜螢光材質的面板電光轉化效率只有 25%,因此磷光材質在平面顯示器應用上極具潛力。 ## 應用 OLED 可應用於製造平價可彎曲顯示器、照明裝置、發光衣或裝飾牆壁。2004 年開始,有機發光二極體已廣泛應用於隨身 MP3 播放器。 ### 顯示領域
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Organic_light-emitting_diode
有機發光半導體技術的主要優點是主動發光。現在,發紅、綠、藍光的有機發光半導體都可以得到。研究者們一直致力於開發有機發光半導體在從背光、低容量顯示器到高容量顯示器領域的應用。 有機發光半導體在 1999 年首度商業化,技術仍然非常新。現在用在一些黑白/簡單色彩的汽車收音機、行動電話、掌上型電動遊樂器等。都屬於高階機種。 目前全世界約有 100 多家廠商從事 OLED 的商業開發,有機發光半導體目前的技術發展方向分成兩大類:日、韓和臺灣傾向柯達公司的低分子有機發光半導體技術,歐洲廠商則以 PLED 為主。兩大集團中除了柯達聯盟之外,另一個以高分子聚合物為主的飛利浦公司現在也聯合了 EPSON、DuPont、東芝等公司全力開發自己的產品。2007 年第二季全球有機發光半導體市場的產值已達到 1 億 2340 萬美元。 OLED 面板的生產廠商主要集中於日本、韓國、台灣等。 相對於 LCD,OLED 具有省電、不需要背光板、可以更輕薄等特質,OLED (頁面存檔備份,存於網際網路檔案館)可用於柔性顯示和透明顯示顯示技術中。 ### 照明領域 ### 光醫療領域 * 治療創傷(PBM 光療法):相比傳統光醫療,OLED 貼片憑藉二維彎曲(柔性)、輕薄、可穿戴等特點,可以更貼合外觀,舒適感和體驗性會更佳。 * 可穿戴 OLED 發光器件在個人移動醫療監測領域來測量人體訊號,例如監測心跳和血氧水平。這是因為在心血管監測方法中,光體積描記法(PPG)訊號和血氧飽和度(SpO2)水平是通過使用發光器件和光檢測器,進行無創光測量的。 不過,由於 OLED 的 PI 薄膜基板技術、柔性薄膜封裝技術、FPC 柔性電路板技術等還有待成熟,OLED 光醫療這一新應用方向此前一直進展緩慢。 ## 參看 * 微發光二極體顯示器 * 薄膜電晶體液晶顯示器 * 顯示技術的比較 * 場發射顯示器 * 新興技術列表 * 印刷電子學 * 電子紙 * 表面傳導電子發射顯示器 (FED) * 發光二極體 (LED) * 發光二極體顯示器 ## 參考文獻 ## 延伸閱讀 ## 外部連結 * Structure and working principle of OLEDs and electroluminescent displays (頁面存檔備份,存於網際網路檔案館)
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Organic_light-emitting_diode
* Tutorial on the working principle of OLEDs at Ghent University * MIT introduction to OLED technology (頁面存檔備份,存於網際網路檔案館) (video) * Historical list of OLED products from 1996 to present (頁面存檔備份,存於網際網路檔案館)
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同步加速器輻射
**同步輻射**是帶電粒子的運動速度接近光速(_v_≈_c_)在電磁場中偏轉時,沿運動的切線方向發出的一種電磁輻射,最先在電子同步加速器上發現,故得此名,又稱**同步加速器輻射**。它與迴旋輻射(由迴旋加速器產生的輻射)類似,區別是同步輻射中的電子速度更高,已接近光速,要考慮相對論效應。 由於重子的靜止質量比電子大三個數量級以上,即使在 TeV 級的質子同步加速器中,因同步輻射造成的能量損失依然是不重要的。而對 MeV 級的電子同步加速器,同步輻射已十分顯著。同步輻射使粒子在橫向和縱向的振盪阻尼,並與量子起伏達到平衡態。這也是為什麼電子同步加速器中束流易於穩定和束流發射度較小且不依賴於入射束性能的原因。 由於同步輻射造成的能量損失是阻礙電子同步加速器能量提高的主要因素。同時又發現它具有寬闊的連續光譜、高度的準直性和偏振性等特點,加上高功率和高亮度,使電子儲存環成為一種性能優異的新型強光源而得到廣泛應用。同步輻射又是天體物理中的一種重要輻射機制。 ## 同步輻射的功率 同步輻射的總功率可以表示成:   : $P={\frac {2}{3}}{\frac {e^{2}c}{\rho ^{2}}}\beta ^{4}({\frac {E}{mc^{2}}})^{4}$ 其中,ρ 是粒子運動的軌道半徑,運動速率 $\beta =v/c$ 。上式表明,對於給定軌道半徑和速率的粒子,其同步輻射的功率與粒子能量的四次方成正比,與質量的四次方成反比。 在給定磁場的情況下,同步輻射的總功率可以表示成:   : $P={\frac {2}{3}}r_{0}^{2}c\gamma ^{2}\beta ^{2}B^{2}\sin ^{2}\alpha =1.6\times 10^{-15}\gamma ^{2}\beta ^{2}B^{2}\sin ^{2}\alpha \quad (\mathrm {erg/s} )$ 上式採用高斯單位制, $\gamma =(1-\beta ^{2})^{-1/2}$ , $r_{0}=e^{2}/m_{0}c^{2}$ 是電子古典半徑,α 是電子速率與磁場的夾角。可見,對於相對論性電子,β≈1,同步輻射的功率與電子能量 γ 的平方成正比。對於具有各向同性速度分布的電子,平均輻射功率:
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同步加速器輻射
: ${\bar {P}}={\frac {4}{9}}r_{0}^{2}c\gamma ^{2}\beta ^{2}B^{2}=1.1\times 10^{-15}\gamma ^{2}\beta ^{2}B^{2}\quad (\mathrm {erg/s} )$ ## 同步輻射的譜分布 在圓軌道的情況下,同步輻射的譜分布與迴旋輻射類似。 ## 同步輻射的輻射壽命 電子由於同步輻射而損失能量。損失大部分能量的時間為同步輻射的輻射壽命:   : $t=E/P\simeq {\frac {5\times 10^{8}}{\gamma \beta ^{2}B^{2}\sin ^{2}\alpha }}={\frac {8.7\times 10^{11}}{B^{3/2}\nu _{m}^{1/2}\sin ^{3/2}\alpha }}$ ## 參考文獻 ## 參見 * 同步加速器 * 同步輻射光源
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亚原子
**次原子粒子**,或稱**亞原子粒子**。是指比原子還小的粒子。例如:電子、中子、質子、介子、夸克、膠子、光子、玻色子、重力子。 ## 分類 **次原子粒子**,按照參與基本交互作用的性質可以分為: * 強子 - 直接參與強交互作用的粒子,按照自旋量子數和重子數又可分為: * 介子 - 自旋量子數為整數(0,1,2 ……)、重子數為 0 的強子 * 重子 - 自旋量子數為半奇數(1/2,3/2,5/2 ……)、重子數為 + 1 或者 - 1 的強子 * 輕子 - 不直接參與強交互作用的粒子 * 規範玻色子 - 傳遞基本交互作用的媒介粒子 以及:一個不屬於規範玻色子的玻色子 —— 希格斯粒子 按照自旋量子數可以歸入: * 玻色子 - 自旋為整數(0,1,2 ……)的粒子 * 費米子 - 自旋為半奇數(1/2,3/2,5/2 ……)的粒子 按照衰變的性質可以分為: * 穩定粒子 - 不能通過強交互作用衰變的粒子 * 共振態 - 可以通過強交互作用衰變的粒子 按照組成可以分為: * 基本粒子 * 複合粒子 ## 參考文獻 * particleadventure.org: The Standard Model. * cpepweb.org: Particle chart. (頁面存檔備份,存於網際網路檔案館) * University of California: Particle Data Group. (頁面存檔備份,存於網際網路檔案館) * Annotated Physics Encyclopædia: Quantum Field Theory. (頁面存檔備份,存於網際網路檔案館) * Jose Galvez: Chapter 1 Electrodynamics (pdf).
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泡利矩陣
在數學和數學物理中,**包立矩陣**是一組三個 2×2 的么正厄米複矩陣,一般都以希臘字母 σ 來表示,但有時當他們在和同位旋的對稱性做連結時,會被寫成 τ。他們在包立表像(σz 表像)可以寫成:   : ${\begin{aligned}\sigma _{1}=\sigma _{x}&={\begin{bmatrix}0&1\\1&0\end{bmatrix}}\\\sigma _{2}=\sigma _{y}&={\begin{bmatrix}0&-i\\i&0\end{bmatrix}}\\\sigma _{3}=\sigma _{z}&={\begin{bmatrix}1&0\\0&-1\end{bmatrix}}\end{aligned}}$ 這些矩陣是以物理學家沃爾夫岡・包立命名的。在量子力學中,它們出現在包立方程式中描述磁場和自旋之間交互作用的一項。所有的包立矩陣都是厄米矩陣,它們和單位矩陣 I(有時候又被稱為為第零號包立矩陣 _σ_0),的線性張成為 2×2 厄米矩陣的向量空間。 從量子力學的角度來看,埃爾米特矩陣(算符)代表可觀測的物理量,因此,σk, _k_= 0,1,2,3 的線性張成代表所有作用在二維希爾伯特空間的物理量所形成的空間。從包立本人的的研究來看,σk , _k_=1,2,3 所代表的物理量是自旋在三維歐幾里得空間ℝ3 中第 _k_ 個座標軸的投影分量。 ## 數學性質 三個包立矩陣可以共同用一種單一形式表達:   : $\sigma _{a}={\begin{bmatrix}\delta _{a3}&\delta _{a1}-i\delta _{a2}\\\delta _{a1}+i\delta _{a2}&-\delta _{a3}\end{bmatrix}}$ 其中 _δab_ 是克羅內克 _δ_ 函數。當 _a_=_b_ 時,其值為 1;當 _a_≠_b_ 時,其值為 0。 ### 本徵值和本徵向量 這些矩陣是對合的:   : $\sigma _{1}^{2}=\sigma _{2}^{2}=\sigma _{3}^{2}=-i\sigma _{1}\sigma _{2}\sigma _{3}={\begin{bmatrix}1&0\\0&1\end{bmatrix}}=I$ 其中 _I_ 是單位矩陣。 此外,包立矩陣的行列式和它們的跡分別為:
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泡利矩陣
: ${\begin{aligned}\det(\sigma _{i})&=-1\\\operatorname {tr} (\sigma _{i})&=0\end{aligned}}$ 故從上述關係可以推得每個包立矩陣 _σ_i 的本徵值分別為 ±1。 每個包立矩陣有兩個本徵值,+1 和−1,其對應的歸一化本徵向量為:   : ${\begin{array}{lclc}\psi _{x+}=\displaystyle {\frac {1}{\sqrt {2}}}\!\!\!\!\!&{\begin{bmatrix}{1}\\{1}\end{bmatrix}}&\psi _{x-}=\displaystyle {\frac {1}{\sqrt {2}}}\!\!\!\!\!&{\begin{bmatrix}{1}\\{-1}\end{bmatrix}}\\\psi _{y+}=\displaystyle {\frac {1}{\sqrt {2}}}\!\!\!\!\!&{\begin{bmatrix}{-i}\\{1}\end{bmatrix}}&\psi _{y-}=\displaystyle {\frac {1}{\sqrt {2}}}\!\!\!\!\!&{\begin{bmatrix}{1}\\{-i}\end{bmatrix}}\\\psi _{z+}=&{\begin{bmatrix}{1}\\{0}\end{bmatrix}}&\psi _{z-}=&{\begin{bmatrix}{0}\\{1}\end{bmatrix}}\end{array}}$ ### 包立向量 包立向量定義為:   : ${\vec {\sigma }}=\sigma _{1}{\hat {x}}+\sigma _{2}{\hat {y}}+\sigma _{3}{\hat {z}}\,$ 這個定義提供了將一般向量基底對應到包立矩陣的基底的機制
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泡利矩陣
: ${\begin{aligned}{\vec {a}}\cdot {\vec {\sigma }}&=(a_{i}{\hat {x}}_{i})\cdot (\sigma _{j}{\hat {x}}_{j})\\&=a_{i}\sigma _{j}{\hat {x}}_{i}\cdot {\hat {x}}_{j}\\&=a_{i}\sigma _{j}\delta _{ij}\\&=a_{i}\sigma _{i}\end{aligned}}$ 相同的下標是使用了愛因斯坦求和約定。此外:   : $\det {\vec {a}}\cdot {\vec {\sigma }}=-{\vec {a}}\cdot {\vec {a}}=-|{\vec {a}}|^{2}$ 。 ### 對易關係 包立矩陣有以下的對易關係:   : $[\sigma _{a},\sigma _{b}]=2i\varepsilon _{abc}\,\sigma _{c}\,,$ 以及以下的反對易關係。   : $\{\sigma _{a},\sigma _{b}\}=2\delta _{ab}\,I$ 。 其中 _εabc_ 是列維 - 奇維塔符號,_δab_ 是克羅內克函數,是 _I_ 是 2 ×2 的單位矩陣。而一樣的,上面使用了愛因斯坦求和約定。 ### 和內積、外積的關係 將包立矩陣的對易和反對易相加得:   : ${\begin{aligned}\left[\sigma _{a},\sigma _{b}\right]+\{\sigma _{a},\sigma _{b}\}&=(\sigma _{a}\sigma _{b}-\sigma _{b}\sigma _{a})+(\sigma _{a}\sigma _{b}+\sigma _{b}\sigma _{a})\\2i\sum _{c}\varepsilon _{abc}\,\sigma _{c}+2\delta _{ab}I&=2\sigma _{a}\sigma _{b}\end{aligned}}$ 因此可得:   : $\sigma _{a}\sigma _{b}=i\sum _{c}\varepsilon _{abc}\,\sigma _{c}+\delta _{ab}I$
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泡利矩陣
為了避免符號重複,將 _a_, _b_, _c_ 改成 _p_, _q_, _r_,然後把上式和三維向量 _ap_ 和 _bq_ 內積,可得:   : ${\begin{aligned}a_{p}b_{q}\sigma _{p}\sigma _{q}&=a_{p}b_{q}\left(i\sum _{r}\varepsilon _{pqr}\,\sigma _{r}+\delta _{pq}I\right)\\a_{p}\sigma _{p}b_{q}\sigma _{q}&=i\sum _{r}\varepsilon _{pqr}\,a_{p}b_{q}\sigma _{r}+a_{p}b_{q}\delta _{pq}I\end{aligned}}$ 將它轉換成向量積的表達式:   : $({\vec {a}}\cdot {\vec {\sigma }})({\vec {b}}\cdot {\vec {\sigma }})=({\vec {a}}\cdot {\vec {b}})\,I+i({\vec {a}}\times {\vec {b}})\cdot {\vec {\sigma }}$ ### 包立向量的指數 令 ${\vec {a}}=a{\hat {n}}$ ,而且 $|{\hat {n}}|=1$ 對於偶數 _n_ 可得:   : $({\hat {n}}\cdot {\vec {\sigma }})^{2n}=I\,$ 另外加上之前求得在 _n_ = 1 的情況可在 _n_ 為奇數的情況:   : $({\hat {n}}\cdot {\vec {\sigma }})^{2n+1}={\hat {n}}\cdot {\vec {\sigma }}\,$ 利用矩陣指數的概念,加上正弦和餘弦的泰勒級數展開式,可得:
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泡利矩陣
: ${\begin{aligned}e^{ia({\hat {n}}\cdot {\vec {\sigma }})}&=\sum _{n=0}^{\infty }{\frac {i^{n}\left[a({\hat {n}}\cdot {\vec {\sigma }})\right]^{n}}{n!}}\\&=\sum _{n=0}^{\infty }{\frac {(-1)^{n}(a{\hat {n}}\cdot {\vec {\sigma }})^{2n}}{(2n)!}}+i\sum _{n=0}^{\infty }{\frac {(-1)^{n}(a{\hat {n}}\cdot {\vec {\sigma }})^{2n+1}}{(2n+1)!}}\\&=I\sum _{n=0}^{\infty }{\frac {(-1)^{n}a^{2n}}{(2n)!}}+i{\hat {n}}\cdot {\vec {\sigma }}\left(\sum _{n=0}^{\infty }{\frac {(-1)^{n}a^{2n+1}}{(2n+1)!}}\right)\\\end{aligned}}$ 第一項的總和為 $\cos {a}$ ,第二項括號裡的總和是 $\sin {a}$ ,於是:   : 這可以看做是歐拉公式的類比。 ### 完備性關係 另一個常用來區別包立矩陣的方法是用上標 i,用不同的 i 來代表不同的包立矩陣,而下標則代表不同的矩陣元素。因此第 i 個包立矩陣的第 α 行第 β 列的元素可表示為 _σ_ iαβ 利用這種表示方法,包立矩陣的完備性關係可寫作:   : ${\vec {\sigma }}_{\alpha \beta }\cdot {\vec {\sigma }}_{\gamma \delta }\equiv \sum _{i=1}^{3}\sigma _{\alpha \beta }^{i}\sigma _{\gamma \delta }^{i}=2\delta _{\alpha \delta }\delta _{\beta \gamma }-\delta _{\alpha \beta }\delta _{\gamma \delta }\ $ 有時習慣上將 2×2 單位舉寫成 _σ_0,也就是,_σ_0αβ = _δ_αβ。如此一來完備性關係可以更為簡潔的表示成:
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泡利矩陣
: $\sum _{i=0}^{3}\sigma _{\alpha \beta }^{i}\sigma _{\gamma \delta }^{i}=2\delta _{\alpha \delta }\delta _{\beta \gamma }\,$ ### 和換位算符的關係 令算符 _Pij_ 為換位算符(或稱為置換算符)。對於兩個在張量積空間ℂ2 ⊗ ℂ2 中的自旋 _σ_i 和 _σ_j 該算符有:   : $P_{ij}|\sigma _{i}\sigma _{j}\rangle =|\sigma _{j}\sigma _{i}\rangle \,$ 的關係。這個算符可以更進一步的用包立矩陣來表示:   : $P_{ij}={\tfrac {1}{2}}({\vec {\sigma }}_{i}\cdot {\vec {\sigma }}_{j}+1)\,$ 該算符有兩個本徵值,分別 1 和 - 1,這個算符可以用於代表某些哈密頓量的交互作用項,產生對稱和反對稱的本徵態分裂的效果。 ## SU (2) ### 四元數與包立矩陣 {_I_, _iσ_1, _iσ_2, _iσ_3}的實數張成與四元數ℍ的實代數同構,可透過下列映射得到對應關係(注意到包立矩陣的負號):   : $1\mapsto I,\quad \mathbf {i} \mapsto -\sigma _{2}\sigma _{3}=-i\sigma _{1},\quad \mathbf {j} \mapsto -\sigma _{3}\sigma _{1}=-i\sigma _{2},\quad \mathbf {k} \mapsto -\sigma _{1}\sigma _{2}=-i\sigma _{3}.$ 另外一種方式的映射為將包立矩陣的次序反轉   : $1\mapsto I,\quad \mathbf {i} \mapsto i\sigma _{3},\quad \mathbf {j} \mapsto i\sigma _{2},\quad \mathbf {k} \mapsto i\sigma _{1}.$ 既然單位四元數與 SU(2) 為群同構,此亦代表包立矩陣也可用來描述 SU(2)。從 SU(2) 到 SO(3) 的 2 對 1 同態性,也可以用包立矩陣來表述。
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泡利矩陣
四元數構成可除代數 —— 所有非零元素皆有反元素,然而包立矩陣並非如此。包立矩陣生成的代數的四元數版,參見複四元數,其共有 8 個實維度。 ## 相關條目 * 四元數 * 包立方程式 * 龐加萊群 * 蓋爾曼矩陣 * 代數幾何 ## 參考文獻 ### 延伸閱讀 * Liboff, Richard L. Introductory Quantum Mechanics. Addison-Wesley. 2002. ISBN 0-8053-8714-5. * Schiff, Leonard I. Quantum Mechanics. McGraw-Hill. 1968. ISBN 978-0070552876. * Leonhardt, Ulf. Essential Quantum Optics. Cambridge University Press. 2010. ISBN 0-521-14505-8.
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正則對易關係
在抽象代數中,一個群的**交換子**(commutator)或**換位子**是一個二元運算子。設 _g_ 及 _h_ 是 群 _G_ 中的元素,他們的**交換子**是 _g_ −1 _h_ −1 _gh_,常記為 [ _g_, _h_ ]。只有當 _g_ 和 _h_ 符合交換律(即 gh = hg)時他們的交換子才是這個群的單位元。 一個群 _G_ 的全部交換子生成的子群叫做群 _G_ 的導群,記作 _D(G)_。 ## 群論 群 G 中兩個元素 g 和 h 的**交換子**為元素   : [_g_, _h_] = _g_−1_h_−1_gh_ 它等於群的么元若且唯若 g 和 h 可交換(即 _gh_ = _hg_)。 ## 環論 環或結合代數上兩個元素 _a_ 和 _b_ 的**交換子**定義為:   : $[a,b]=ab-ba.$ ## 量子力學 量子力學中,經常用到**對易關係**(**commutation relation**),即   : $[{\hat {A}},{\hat {B}}]={\hat {A}}{\hat {B}}-{\hat {B}}{\hat {A}}$ ; 其中; ${\hat {A}}$ 、 ${\hat {B}}$ 均為量子力學的算符, $[{\hat {A}},{\hat {B}}]$ 是其對易算符,也稱**交換子**。 如果上式等於零,則稱 ${\hat {A}}$ 、 ${\hat {B}}$ 是**對易**的,即意味著 ${\hat {A}}$ 和 ${\hat {B}}$ 兩個算符的運算順序可以調換。反之則稱**非對易**的,運算順序不可以調換。 量子力學中,**交換子**有以下特性:   : $[{\hat {A}},{\hat {B}}]=-[{\hat {B}},{\hat {A}}]$   : $[{\hat {A}},{\hat {B}}+{\hat {C}}]=[{\hat {A}},{\hat {B}}]+[{\hat {A}},{\hat {C}}],\quad [{\hat {A}}+{\hat {B}},{\hat {C}}]=[{\hat {A}},{\hat {C}}]+[{\hat {B}},{\hat {C}}]$
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正則對易關係
: $[{\hat {A}},{\hat {B}}{\hat {C}}]=[{\hat {A}},{\hat {B}}]{\hat {C}}+{\hat {B}}[{\hat {A}},{\hat {C}}],\quad [{\hat {A}}{\hat {B}},{\hat {C}}]=[{\hat {A}},{\hat {C}}]{\hat {B}}+{\hat {A}}[{\hat {B}},{\hat {C}}]$   : $[{\hat {A}},{\hat {A}}^{n}]=0,\quad n=1,2,3...$   : $[k{\hat {A}},{\hat {B}}]=[{\hat {A}},k{\hat {B}}]=k[{\hat {A}},{\hat {B}}]$   : $[{\hat {A}},[{\hat {B}},{\hat {C}}]]+[{\hat {C}},[{\hat {A}},{\hat {B}}]]+[{\hat {B}},[{\hat {C}},{\hat {A}}]]=0$ 量子力學中的各個力學量之間,常用的對易關係有: 以下, ${\hat {x}}$ 是位置算符、 ${\hat {p}}$ 是動量算符、 ${\hat {L}}$ 是角動量算符(包括軌道角動量、自旋角動量等),而 $\delta _{ij}$ 是克羅內克 δ、 $\epsilon _{ijk}$ 是列維 - 奇維塔符號。其中 i、j、k 均可以指代 x、y、z 三個方向中的任意一個。 ### 正則對易關係 物理學中,**正則對易關係**是正則共軛的量之間的關係,這樣的量從定義可以發現:一個量是其共軛量的傅立葉變換的結果。舉例來說:   : $[x,p]=i\hbar $ 上面的 _x_ 與 _p_ 分別為一維空間中的一點粒子的位置與動量,而 $[x,p]=xp-px$ 為所謂 $x$ 與 $p$ 的交換算符, $i$ 是虛數單位, $\hbar $ 為約化普朗克常數,等於 $h/2\pi $ 。此一關係常歸功於馬克斯・玻恩,並且此式子暗示了以海森堡為名的不確定性原理。 ### 與古典力學的關係 相對於量子力學,古典物理中所有可觀測量都可對易(交換),而交換算符會是零;然而仍然有類似的關係存在:需將交換子換成帕松括號,且常數 $i\hbar $ 換成 $1$ :   : $\{x,p\}=1\,\!$
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正則對易關係
這樣的觀察導致了保羅・狄拉克提出假設:一般來說,古典的觀測量 $f,g$ 其量子對應項 ${\hat {f}},{\hat {g}}$ 應滿足   : $[{\hat {f}},{\hat {g}}]=i\hbar {\widehat {\{f,g\}}}\,$ 。 於 1927 年,赫爾曼・外爾(Hermann Weyl)指出了量子算符與相空間中古典分布之間的對應關係並不成立。不過他倒是提出了一個機制,稱作魏爾量子化(Weyl quantization),為了一種稱作形變量子化(deformation quantization)的量子化方法提供了數學途徑。 ## 延伸閱讀 * Fraleigh, John B., A First Course In Abstract Algebra 2nd, Reading: Addison-Wesley, 1976 [2020-04-07], ISBN0-201-01984-1, (原始內容存檔於 2021-07-09) * Griffiths, David J., Introduction to Quantum Mechanics 2nd, Prentice Hall, 2004, ISBN 0-13-805326-X  含有內容需登入查看的頁面 (link) * Herstein, I. N., Topics In Algebra 2nd, John Wiley & Sons, 1975 * Liboff, Richard L., Introductory Quantum Mechanics 4th, Addison-Wesley, 2003, ISBN 0-8053-8714-5 * McKay, Susan, Finite p-groups, Queen Mary Maths Notes **18**, University of London, 2000, ISBN 978-0-902480-17-9, MR 1802994 * McMahon, D., Quantum Field Theory, USA: McGraw Hill, 2008, ISBN 978-0-07-154382-8 ## 相關條目 * 正則量子化 * 正則變換 * 李導數 * 群 * 李代數 * 帕松括號 * 雅可比恆等式
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费米凝聚
**費米凝聚**(Fermionic condensate):類似於玻色 - 愛因斯坦凝聚體,由大量費米子占據同一量子態形成。由於包立不相容原理,不同的費米子不能占據同一量子態,因此費米子不能像玻色子那樣直接形成玻色 - 愛因斯坦凝聚體。不過科學家把兩個費米子結合在一起成為具有玻色子性質的「費米子對」即庫柏對,這樣使費米子對冷凝,成為費米凝聚。 ## 參見 * 相態 * 相態列表 * 手徵對稱性 * 手徵對稱性破缺
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麥克斯韋-波茲曼統計
**馬克士威 — 波茲曼統計**是描述獨立定域粒子體系分布狀況的統計規律。 所謂獨立定域粒子體系指的是這樣一個體系:粒子間相互沒有任何作用,互不影響,並且各個不同的粒子之間都是可以互相區別的,在量子力學背景下只有定域分布粒子體系中的粒子是可以相互區分的,因此這種體系被稱為獨立定域粒子體系。而在古典力學背景下,任何一個粒子的運動都是嚴格符淨力學規律的,有著可確定的運動軌跡可以相互區分,因此所有古典粒子體系都是定域粒子體系,在近獨立假設下,都符合馬克士威 - 波茲曼統計。 因而符合馬克士威 — 波茲曼統計分布的粒子,當他們處於某一分布 $\left\{N_{j}\right\}$ (「某一分布」指這樣一種狀態:即在能量為 $\left\{\epsilon _{j}\right\}$ 的能階上同時有 $N_{j}$ 個粒子存在著,不難想像,當從宏觀觀察體系能量一定的時候,從微觀角度觀察體系可能有很多種不同的分布狀態,而且在這些不同的分布狀態中,總有一些狀態出現的機率特別的大,而其中出現機率最大的分布狀態被稱為最可幾分布)時,體系總狀態數為:   : : $W=N!\prod _{j}\left({\frac {g_{j}^{N_{j}}}{N_{j}!}}\right)$   : $g_{j}=3;N_{j}=2;W_{j}=9$ 我們想要求出數列 $N_{i}$ 在什麼條件之下 $W$ 會得到極大值,但我們要注意的是數列 $N_{i}$ 必須滿足粒子總數固定且能量固定的條件。利用 $W$ 或 $\ln(W)$ 來求出粒子分配時最概然分佈的條件是等價的,然而基於數學上的理由,我們取後者的極大值會較為方便。由於 $N_{i}$ 並非完全獨立,因此我們採用拉格朗日乘數法以求出 $\ln(W)$ 的極值。 令   : $f(N_{1},N_{2},...,N_{n})=\ln(W)+\alpha (N-\sum N_{i})+\beta (E-\sum N_{i}\epsilon _{i})$ 利用斯特靈公式作為階乘的近似 $N!\approx N^{N}e^{-N}$ ,我們得到:   : $\ln(N!)=N\ln N-N\;$ 代入 $\ln(W)$ ,有
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麥克斯韋-波茲曼統計
: $\ln W=\ln \left[N!\prod \limits _{i=1}^{n}{\frac {g_{i}^{N_{i}}}{N_{i}!}}\right]=\ln N!+\sum \limits _{i=1}^{n}\left(N_{i}\ln g_{i}-N_{i}\ln N_{i}+N_{i}\right)$ 最後我們得到   : $f(N_{1},N_{2},...,N_{n})=N\ln(N)-N+\alpha N+\beta E+\sum \limits _{i=1}^{n}\left(N_{i}\ln g_{i}-N_{i}\ln N_{i}+N_{i}-(\alpha +\beta \epsilon _{i})N_{i}\right)$ 根據拉氏乘法原則,我們對 $f(N_{1},N_{2},...,N_{n})$ 的每一項 $N_{i}$ 做偏微分,並令其等於 0。   : ${\frac {\partial f}{\partial N_{i}}}=\ln g_{i}-\ln N_{i}-(\alpha +\beta \epsilon _{i})=0$ 即   : $N_{i}={\frac {g_{i}}{e^{\alpha +\beta \epsilon _{i}}}}$ 利用其他熱力學的方法可以證明 β = 1/_kT_ ( $k$ 是波茲曼常數;_T_ 是絕對溫標 )並且 α = -μ/_kT_ ( μ 是化學勢) 最後我們得到:   : $N_{i}={\frac {g_{i}}{e^{(\epsilon _{i}-\mu )/kT}}}$ 由於量子統計在數學處理上非常困難,因此在處理實際問題時經常引入一些近似條件,使費米 - 狄拉克統計和玻色 - 愛因斯坦統計退化成為古典的**馬克士威 - 波茲曼統計**。 ## 參考文獻 ## 參見 * 量子統計 * 盒中氣體 * 理想氣體 * 全同粒子
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分数微积分
數學上,**分數微積分(fractional calculus)** 是數學分析的一個分支,它研究微分算子 $D={\frac {d}{dx}}$ 和積分算子 _J_ 的實數次冪的可能應用(通常不寫作 _I_, 以避免和其他 _I_ 形符號產生混淆)。 在這個上下文中,_冪_指反覆應用,和   : $\,f^{2}(x)=f(f(x))$ 中的平方意義相同。例如,可以提出如何解釋如下符號的問題   : ${\sqrt {D}}=D^{\frac {1}{2}}$ 作為微分算子的平方根(半次操作),也就是一種算子操作兩次以後可以有微分的效果。 更一般的,   : $D^{n}$ 對於實數值的 _n_,使得當 _n_ 為整數時,若 _n_>0, 它等同於通常的冪 _n_ 次操作,當 _n_<0, 它等同於 n 次積分 _J_。 討論這個問題有幾個原因。一個是,這樣冪 _D_n 組成的半群可以看作一個_連續_的半群中取_離散_值的部分。連續半群在數學上有很好的研究,有一個有趣的理論。注意,_分數_是個錯誤的記號,因為指數可以取非有理數,但是_分數微積分_已成為習慣用法。 ## 歷史緣由 在應用數學與數學分析中,一個分數階的導數是一個可以為任意階實數或是複數的導數。這個概念第一次出現在 1695 年,萊布尼茲寫給洛必達的書信中。分數微積分則是第一次被介紹在阿貝爾的早期論文中,其中關於各種分數階的積分與微分的概念、微分與積分的關係、關於分數階的微分與積分其實都可以被視作一種廣義算子,以及統一關於實數階微分與積分的概念。該主題的基礎由劉維爾 (Liouville) 在 1832 年的論文中獨立奠定的,奧利弗・黑維塞 (Oliver Heaviside) 在 1890 年引入分數微分算子在電力傳輸分析中。分數微積分的理論與應用在 19 世紀跟 20 世紀中得到發展,許多貢獻者都給出了分數階導數與積分的定義。 ## 試探法 一個很自然的想法是問,是否存在一個算子 $H$ 起到**半導數**的作用,即使得:   : : $H^{2}f(x)=Df(x)={\frac {d}{dx}}f(x)=f'(x)$ 結論是:這樣的算子是存在的,對於任意 $a>0$ , 存在一個算子 $P$ , 滿足:   : : $(P^{a}f)(x)=f'(x)$ ,
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分数微积分
或者換一個說法, ${\dfrac {d^{n}y}{dx^{n}}}$ 的定義可以從正整數 _n_ 擴充到所有的實數 _n_. 在這裡我們引入 Γ 函數將階乘擴展到實數和複數域上. Γ 函數的定義如下:   : : $n!=\Gamma (n+1)$ , 假設對函數 $f(x)$ $(x>0)$ 在 0 到 _x_ 上求積分,我們可以形式的定義積分算子 _J_:   : : $(Jf)(x)=\int _{0}^{x}f(t)\;dt$ 重複這個過程,可得:   : : $(J^{2}f)(x)=\int _{0}^{x}(Jf)(t)dt=\int _{0}^{x}\left(\int _{0}^{t}f(s)\;ds\right)\;dt$ , 這個過程可以任意的重複下去。 利用重複積分的**柯西公式**,即:   : : $(J^{n}f)(x)={\frac {1}{(n-1)!}}\int _{0}^{x}(x-t)^{n-1}f(t)\;dt$ 我們可以直截了當的寫出任意實數 _n_ 的積分算子。 直接利用 $\Gamma $ 函數將離散的階乘擴展為連續的函數。我們可以自然的得到分數積分算子的表達形式   : : $(J^{\alpha }f)(x)={\frac {1}{\Gamma (\alpha )}}\int _{0}^{x}(x-t)^{\alpha -1}f(t)\;dt$ 這個算子定義明確而且具有良好的性質。 可以證明 _J_ 算子滿足如下關係   : : $(J^{\alpha })(J^{\beta })f=(J^{\beta })(J^{\alpha })f=(J^{\alpha +\beta })f={\frac {1}{\Gamma (\alpha +\beta )}}\int _{0}^{x}(x-t)^{\alpha +\beta -1}f(t)\;dt$ 這個性質叫**微分積分算符**的半群性。然而用類似方法定義微分算子將變得相當困難,而且定義出來的微分算子 _D_ 一般來說不對易也不具有疊加性。 ## 分數微分在一個簡單函數上的應用 假設有一個函數   : $f(x)=x^{k}\;$ 。它的一階導數一般是:   : $f'(x)={\dfrac {d}{dx}}f(x)=kx^{k-1}\;$ 。重複這一過程,得到更一般的結果:
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分数微积分
: ${\dfrac {d^{a}}{dx^{a}}}x^{k}={\dfrac {k!}{(k-a)!}}x^{k-a}\;$ ,將階乘用伽瑪函數替換,可得:   : ${\dfrac {d^{a}}{dx^{a}}}x^{k}={\dfrac {\Gamma (k+1)}{\Gamma (k-a+1)}}x^{k-a}\;$ 。當 k = 1, 並且 a = 1/2 時我們可以得到函數 $x$ 的半導數:   : ${\dfrac {d^{\frac {1}{2}}}{dx^{\frac {1}{2}}}}x={\dfrac {\Gamma (1+1)}{\Gamma (1-{\frac {1}{2}}+1)}}x^{1-{\frac {1}{2}}}={\dfrac {1!}{\Gamma ({\frac {3}{2}})}}x^{\frac {1}{2}}={\dfrac {2x^{\frac {1}{2}}}{\sqrt {\pi }}}$ 。重複這一過程,得:   : ${\dfrac {d^{\frac {1}{2}}}{dx^{\frac {1}{2}}}}2\pi ^{-{\frac {1}{2}}}x^{\frac {1}{2}}=2\pi ^{-{\frac {1}{2}}}{\dfrac {\Gamma (1+{\frac {1}{2}})}{\Gamma ({\frac {1}{2}}-{\frac {1}{2}}+1)}}x^{{\frac {1}{2}}-{\frac {1}{2}}}=2\pi ^{-{\frac {1}{2}}}{\dfrac {\Gamma ({\frac {3}{2}})}{\Gamma (1)}}x^{0}={\dfrac {2{\sqrt {\pi }}x^{0}}{2{\sqrt {\pi }}0!}}=1$ ,這正是期望的結果:   : $\left({\dfrac {d^{\frac {1}{2}}}{dx^{\frac {1}{2}}}}{\dfrac {d^{\frac {1}{2}}}{dx^{\frac {1}{2}}}}\right)x={\dfrac {d}{dx}}x=1$ 。 以上微分算子的擴展不僅僅局限於實數次。舉個例子, $(1+i)$ 階導數作用後, $(1-i)$ 階導數再作用,可以得到二階導數。同時如果 _a_ 為負則可為求積分。
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分数微积分
分數微分可以得到上述相同的結果(當 $0<\alpha <1$ )。   : : $D^{\alpha }f(x)={\frac {1}{\Gamma (1-\alpha )}}{\frac {d}{dx}}\int _{0}^{x}{\frac {f(t)}{(x-t)^{\alpha }}}dt$ 對於任意的 $\alpha $ , 由於伽瑪函數的參數在實數部為負整數時沒有定義,需要在分數微分前先進行整數微分。例如   : : $D^{\frac {3}{2}}f(x)=D^{\frac {1}{2}}D^{1}f(x)=D^{\frac {1}{2}}{\frac {d}{dx}}f(x)$ ## 拉普拉斯變換 我們可以藉由拉普拉絲變換提出一個問題。已知 $$ {\mathcal {L}}\left\{Jf\right\}(s)={\mathcal {L}}\left\{\int _{0}^{t}f(\tau )\,d\tau \right\}(s)={\frac {1}{s}}{\bigl (}{\mathcal {L}}\left\{f\right\}{\bigr )}(s) $$ 以及 $$ {\mathcal {L}}\left\{J^{2}f\right\}={\frac {1}{s}}{\bigl (}{\mathcal {L}}\left\{Jf\right\}{\bigr )}(s)={\frac {1}{s^{2}}}{\bigl (}{\mathcal {L}}\left\{f\right\}{\bigr )}(s) $$ 然後繼續下去,我們可以推斷: $$ J^{\alpha }f={\mathcal {L}}^{-1}\left\{s^{-\alpha }{\bigl (}{\mathcal {L}}\{f\}{\bigr )}(s)\right\} $$ 舉例來說: $$ J^{\alpha }(t^{k})={\mathcal {L}}^{-1}\left\{{\frac {\Gamma (k+1)}{s^{\alpha +k+1}}}\right\}={\frac {\Gamma (k+1)}{\Gamma (\alpha +k+1)}}t^{\alpha +k} $$ 如同預期一樣。的確,我們給出捲積性質。 $$
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分数微积分
{\mathcal {L}}\{f*g\}={\bigl (}{\mathcal {L}}\{f\}{\bigr )}{\bigl (}{\mathcal {L}}\{g\}{\bigr )} $$ 然後為了方便,令 _p_(_x_) = _x_α − 1 ,我們發現到: $$ {\begin{aligned}\left(J^{\alpha }f\right)(t)&={\frac {1}{\Gamma (\alpha )}}{\mathcal {L}}^{-1}\left\{{\bigl (}{\mathcal {L}}\{p\}{\bigr )}{\bigl (}{\mathcal {L}}\{f\}{\bigr )}\right\}\\&={\frac {1}{\Gamma (\alpha )}}(p*f)\\&={\frac {1}{\Gamma (\alpha )}}\int _{0}^{t}p(t-\tau )f(\tau )\,d\tau \\&={\frac {1}{\Gamma (\alpha )}}\int _{0}^{t}\left(t-\tau \right)^{\alpha -1}f(\tau )\,d\tau \\\end{aligned}} $$ 即得到柯西所給出的樣子。 拉普拉斯在一些較少的函數上有效,但是它在解分數微分方程上卻非常有用。 ## 分數階積分 ## 分數階微分 ## 應用 **WKB 近似** 對於一個一維的量子系統進行准經典的近似時,系統哈密頓量 $H=p^{2}+V(x)$ 中 $V(x)$ 的倒數 $V^{-1}(x)$ 可由對態密度的半階微分求出   : : $V^{-1}(x)=2{\sqrt {\pi }}{\frac {d^{\frac {1}{2}}}{dx^{\frac {1}{2}}}}n(x)$ 這裡採用了自然單位制,即 $\hbar =2m=1$ ## 相關條目 * Γ 函數 * 拉普拉絲變換 ## 參考文獻 ## 外部連結 * 任意階微積分 http://drhuang.com/chinese/science/mathematics/fractionalCalculus/ (頁面存檔備份,存於網際網路檔案館) * MathWorld - Fractional calculus (頁面存檔備份,存於網際網路檔案館)
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分数微积分
* MathWorld - Fractional derivative (頁面存檔備份,存於網際網路檔案館) * Specialized journal: Fractional Calculus and Applied Analysis (頁面存檔備份,存於網際網路檔案館) * http://www.nasatech.com/Briefs/Oct02/LEW17139.html (頁面存檔備份,存於網際網路檔案館) * https://web.archive.org/web/20040502170831/http://unr.edu/homepage/mcubed/FRG.html * Igor Podlubny's collection of related books, articles, links, software, etc. (頁面存檔備份,存於網際網路檔案館) * http://s.dugowson.free.fr/recherche/dones/index.html (頁面存檔備份,存於網際網路檔案館) * History, Definitions, and Applications for the Engineer(PDF), by Adam Loverro, University of Notre Dame
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簡併物質
**簡併態物質**在物理是一種自由的集團、非互動的顆粒,由量子力學的效應決定它的壓力和其它物理特徵。它類比於古典力學中的理想氣體,但簡併態物質是離經叛道的理想氣體,它有極高的密度(在緻密星),或存在於實驗室的極低溫度下。它一般發生在諸如電子、中子、質子和費米子等物質粒子,分別被稱為**電子簡併物質**、**中子簡併物質**、等等。在混合的粒子,像是在白矮星或金屬內的離子和電子,電子可能成簡併態,而離子不是。 以量子力學描述,自由粒子的體積受限於一定的體積內,可以是一組不連續的能量,稱為量子態。包立不相容原理限制了相同的費米子不能佔據相同的量子狀態。最低的總能量(當粒子的熱能量可以忽略不計)是所有最低能量的量子狀態都被填滿,這種狀態稱為完全簡併。這種壓力(稱為簡併壓力或費米壓力)即使在絕對零度時依然不為零。增加粒子或是壓縮體積都會強迫粒子進入能階的量子狀態。這需要一個壓縮力,並表現為抗壓力。主要特徵是這種簡併壓力並不取決於溫度,而只和費米子的密度有關。它使高密度星的平衡狀態與恆星的熱結構無關。 簡併態物質也稱為**費米氣體**或**簡併氣體**,而速度接近光速的費米子(其粒子能量大於靜止質量能量)的簡併態稱為**相對論性簡併態物質**。 拉爾夫・福勒在 1926 年首度描述離子和電子混合的簡併態物質,觀測顯示白矮星的電子是在高密度的狀態(遵守費米 - 狄拉克統計,尚未使用到簡併態這個術語),其壓力高於離子的粒子壓力。 ## 概念 如果電漿一再降溫和增壓,它最終將不可能再進一步的被壓縮。這是由包立不相容原理指出,兩個費米子不能共用相同的量子態。當處於如此高壓的狀態,因為沒有為粒子留下多餘的空間,每個粒子的位置都有明確的定義。這時由於海森堡不確定原理,Δ_p_Δ_x_ ≥ _ħ_/2,此處的 Δ_p_ 是粒子不確定的動量,而 Δ_x_ 是不確定的位置。Δ_x_ 較小,就意味著 Δ_p_ 較大,即粒子的動量在極度壓縮下仍是極端不確定的。因此,_即使電漿的溫度夠低_,這些粒子的平均移動速度仍然非常快。這導致的結論是,即使已將物體壓縮至極小的空間內,仍然需要巨大的力量來控制粒子的動量。
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簡併物質
不同於壓力正比於溫度的古典理想氣體(_P_ = _nkT_/_V_,此處的 _P_ 是壓力,_V_ 是體積,_n_ 是粒子的數量 -典型的原子或分子,_k_ 是波茲曼常數,和 _T_ 是溫度),簡併態物質的壓力與溫度的關聯非常微弱,特別是,壓力尚未達到零度,或即使已在絕對零度。在相對較低的密度下,完全簡併態氣體給出的壓力是 _P_ = _K_(_n_/_V_)5/3 ,此處 _K_ 取決於組成氣體粒子的特性。在非常高的密度,大多數的粒子被迫進入 相對論性動能量子狀態,給出的壓力是 _P_ = _K_′(_n_/_V_)4/3 ,此處的 _K_′依然取決於組成氣體粒子的特性。 所有物質都存在著正常的熱壓力和簡併壓力,但在常見的氣體,熱壓力佔主導地位,而簡併壓力可以忽略不計。同樣的,簡併態物質仍然有正常的熱壓力,但在極高的密度下,簡併壓力通常佔有主導性。 引人注意的簡併態物質例子包括中微子、夸克、金屬氫和白矮星物質。簡併壓力有助於固體的常規壓力,但是這些通常不被認為是簡併態物質,因為來自原子核的電斥力,和來自電子之間對核的遮罩,為壓力提供了重大的貢獻。在金屬,被當作有效的導體來處理,自由電子被單獨當成簡併態來對待,而大多數的電子仍被視為佔據量子態而受到束縛。這與一顆白矮星的所有電子都被視為佔有自由粒子動量的簡併態物質,形成鮮明的對比。 ## 簡併態氣體 ## 相關條目 * 緻密星 * 白矮星 * 中子星 * 夸克星 —QCD 物質 * 先子星 — 先子 * 包立不相容原理 * 測不準原理 * 0 號元素 * 電子簡併壓力 * 核物質 * 引力時間膨脹 * 物質波 * 電漿物理列表 * 相態 * 相態列表 * 費米氣體 * 費米 - 狄拉克統計 ## 註解 ## 參考資料 * Cohen-Tannoudji, Claude. Advances in Atomic Physics. World Scientific. 2011: 791 [2016-04-07]. ISBN978-981-277-496-5. (原始內容存檔於 2012-05-11). ## 外部連結 * Detailed mathematical explanation of degenerate gases (頁面存檔備份,存於網際網路檔案館) * Mass-radius diagram of degenerate star types (頁面存檔備份,存於網際網路檔案館)
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P=NP
**P/NP 問題**是理論資訊學中計算複雜度理論領域至今未解決的問題,是克雷數學研究所七題千禧年大獎難題之一。P/NP 問題包括複雜度類別 P 與 NP 的關係。1971 年由史提芬・古克(Stephen A. Cook)和列昂尼德・列文分別提出。 ## P=NP 複雜度類別 **P** 即為所有可以由一個確定型圖靈機在多項式表達的時間內解決的問題;類 **NP** 由所有可以在多項式時間內驗證它的解是否正確的決定問題組成,或者等效的說,那些可以在非確定型圖靈機上在多項式時間內找出解的問題的集合。很可能,計算理論最大的未解決問題就是關於這兩類的關係的:   : **P** 和 **NP** 相等 在 2002 年對於 100 研究者的調查中,61 人相信答案是否定的,9 人相信答案是肯定的,22 人不確定,而 8 人相信問題可能和現在所接受的公理獨立,所以不可能證明或證否。[1] 對於正確的解答,有一個一百萬美元的獎勵。 NP - 完全問題(或者叫 **NPC**)的集合在這討論有重大作用,它們可以大致的描述為那些在 **NP** 中最不像在 **P** 中的(確切定義細節請參看 NP - 完全理論)。電腦科學家現在相信 **P**、**NP** 和 **NPC** 類之間的關係如圖中所示,其中 **P** 和 **NPC** 類不相交。 簡單來說,**P**=**NP** 即:「若問題的答案可以很快驗證,其答案是否也可以很快被計算出來。」 例如某大數是否合數:如 53308290611 有否非平凡因數。答案是肯定的,雖然人手找出一個因數很麻煩。從另一個方面講,如果有人聲稱答案是「對,224737 可以整除 53308290611」,則我們可以很快用除法驗證。驗證一個數是除數比找出一個明顯除數來簡單得多。用於驗證一個正面答案所需的資訊也稱為**證明**。所以我們的結論是,給定正確的證明,問題的正面答案可以很快(也就是,在多項式時間內)驗證,而這就是這個問題屬於 **NP** 的原因。 雖然這個特定的問題,最近也獲證實在 **P** 類中(參看下面的關於 "質數在 P 中" 的參考),這一點也不明顯,而且有很多類似的問題相信不屬於類 **P**。 像上面這樣,把問題限制到「是/不是」問題並沒有改變原問題(即沒有降低難度);即使我們允許更複雜的答案,最後的問題(是否 FP=FNP)是等價的。 ## 學術定義
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P=NP
更正式一些,一個**決定問題**是一個取一些字串為輸入並要求輸出為是或否的問題。若有一個演算法(譬如圖靈機,或一個 LISP 或 Pascal 的程式並有無限的記憶體)能夠在最多 **n****k** 步內對一個串長度為 **n** 的輸入給出正確答案,其中 **k** 是某個不依賴於輸入串的常數,則我們稱該問題可以在**多項式時間**內解決,並且將它置入類 **P**。直觀的講,我們將 **P** 中的問題視為可以較快解決的問題。 現在假設有一個演算法 A (**w**,**C**) 取兩個參數,一個串 **w**,也就是我們的決定問題的輸入串,而另一個串 **C** 是「建議證明」,並且使得 A 在最多 **n****k** 步內產生「是/否」答案(其中 **n** 是 **w** 的長度而 **k** 不依賴於 **w**)。然後假設:**w** 是一個答案為「是」的例子,若且唯若,存在 **C** 使得 A (**w**,**C**) 返回「是」。 則我們稱這個問題可以在**非決定性多項式時間**內解決,且將它放入 **NP** 類。我們把演算法 A 作為一個所建議的證明的檢驗器,它執行足夠快。(注意縮寫 **NP** 代表「**N**on-deterministic(非確定性)**P**olynomial(多項式)」而不是代表「**N**on-**P**olynomial(非多項式)。) ## NP 完全 要解決 **P**=**NP** 問題,**NP** 完全的概念非常有用。不嚴格的講,**NP** 完全問題是 **NP** 類中「最難」的問題,也就是說它們是最可能不屬於 **P** 類的。這是因為**任何 NP** 中的問題可以在多項式時間內變換成為任何特定 **NP** 完全問題的一個特例。例如,旅行推銷員問題的判定問題版本為 **NP** 完全。所以 **NP** 中的**任何**問題的**任何**特例可以在多項式時間內轉換成旅行商問題的一個特例。所以若旅行商問題能證實在 **P** 內,則 **P**=**NP**。旅行商問題是很多這樣的 **NP** 完全的問題之一。若任何一個 **NP** 完全的問題在 **P** 內,則可以推出 **P**=**NP**。不幸的是,雖然很多重要的問題被證實為 **NP** 完全,但卻沒有一個有已知快速的演算法。 ## 更難的問題
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P=NP
雖然是否 **P**=**NP** 還是未知的,在 **P** 之外的問題是已經知道存在的。尋找西洋棋或圍棋最佳走法(在 _n_ 乘 _n_ 棋盤上)是 NP 困難的。因為可以證明 P≠EXPTIME(指數時間),這些問題位於 **P** 之外,所以需要比多項式時間更多的時間。判定皮爾斯伯格算術中的命題是否為真的問題更加困難。Fischer 和 Rabin 於 1974 年證明每個決定 Presburger 命題的真偽性的演算法有最少 22cn 的執行時間,_c_ 為某個常數。這裡,_n_ 是 Presburger 命題的長度。因此,該命題已知需要比指數時間更多的執行時間。不可判定問題是更加困難的,例如停機問題,而它們無法在任何給定時間內解決。 ## P 真的容易處理嗎? 上面所有的討論,假設了 **P** 表示「容易」而「不在 **P** 中」表示「困難」。這是一個在複雜度理論中常見而且有一定準確性的假設,它在實踐中卻不總是真的,原因包括如下幾點: * 它忽略了常數因子。一個需要 101000_n_ 時間的問題是屬於 **P** 的(它是線性時間的),但是事實上完全無法處理。一個需要 10-100002n 時間的問題不是在 **P** 中的(它是指數時間的),但是對於 _n_ 取值直到幾千時還是很容易處理的。 * 它忽略了指數的大小。一個時間複雜度 _n_1000 屬於 **P**,但是很難對付。已經證明在 **P** 中存在需要任意大的指數的問題(參看時間層次定理)。一個時間複雜度 2n/1000 的問題不屬於 **P**,但對於 _n_ 直到幾千還是容易應對的。 * 它只考慮了最壞情況的複雜度。可能現實世界中的有些問題在多數時候可以在時間 _n_ 中解決,但是很偶爾你會看到需要時間 2n 的特例。這問題可能有一個多項式的平均時間,但最壞情況是指數式的,所以該問題不屬於 **P**。 * 它只考慮確定性解。可能有一個問題你可以很快解決如果你可以接受出現一點誤差的可能,但是確保正確的答案會難得多。這個問題不會屬於 **P**,雖然事實上它可以很快求解。這實際上是解決屬於 **NP** 而還不知道是否屬於 **P** 的問題的一個辦法(參看 **RP**,**BPP**)。
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P=NP
* 新的諸如量子電腦這樣的計算模型,可能可以快速的解決一些尚未知道是否屬於 **P** 的問題;但是,沒有一個它們已知能夠解決的問題是 **NP** 完全的。不過,必須注意到 **P** 和 **NP** 問題的**定義**是採用像圖靈機這樣的經典計算模型的術語表述的。所以,即使一個量子電腦演算法獲發現能有效解決一個 **NP** 完全問題,我們只是有了一個快速解決困難問題的實際方法,而不是數學類 **P** 和 **NP** 相等的證明。 ## P≠NP 的觀點 多數電腦科學家相信 **P**≠**NP**。該信念的一個關鍵原因是經過數十年對這些問題的研究,沒人能發現一個 NP 完全問題的多項式時間演算法。而且,人們早在 NP 完全的概念出現前就開始尋求這些演算法(Karp 的 21 個 NP 完全問題,在最早發現的一批中,有所有著名的已經存在的問題)。進一步,P=NP 這樣的結果會導致很多驚人結果,那些結果現在被相信不成立,如 NP = 反 NP 和 P=PH。 也有這樣論證:問題難求解(P)但易驗證(NP),這和我們日常經驗相符。 從另一方面講,某些研究者認為我們過於相信 **P**≠**NP**,而應該也去尋找 **P**=**NP** 的證明。例如,2002 年有這聲明: ## 關於證明的難度的結果 雖然百萬美元的獎金和投入巨大卻沒有實質性結果的大量研究足以顯示該問題很難,但是還有一些形式化的結果證明為什麼該問題可能很難解決。 最常參照的結果之一是設計神諭。假想你有部魔法機器可以解決單一問題,例如「判定某數是否質數」,這魔法機器可以瞬間解決這問題。我們的新問題是,若我們獲允許任意利用這機器,是否存在我們可以在多項式時間內驗證但無法在多項式時間內解決的問題?結果是,依賴於機器能解決的問題,**P**=**NP** 和 **P**≠**NP** 二者都可以證明。這個結論帶來的後果是,任何可以通過修改神諭來證明該機器的存在性的結果不能解決問題。不幸的是,幾乎所有經典的方法和大部分已知的方法可以這樣修改(我們稱它們在**相對化**)。
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P=NP
如果這還不算太糟的話,1993 年 Razborov 和 Rudich 證明的一個結果表明,給定一個特定的可信的假設,在某種意義下「自然」的證明不能解決 **P**=**NP** 問題。[2](頁面存檔備份,存於網際網路檔案館)這表明一些現在似乎最有希望的方法不太可能成功。隨著更多這類定理得到證明,該定理的可能證明方法有越來越多的陷阱要規避。 這實際上也是為什麼 **NP** 完全問題有用的原因-若對於 NP 完全問題存在有一個多項式時間演算法,或者沒有這樣的演算法,這將能用一種相信不被上述結果排除在外的方法來解決 **P**=**NP** 問題。 ## 多項式時間演算法 沒人知道多項式時間演算法對於 NP 完全問題是否存在。但是如果這樣的演算法存在,我們已經知道其中的一些了!例如下面的演算法正確地接受了一個 NP 完全語言,但是沒人知道通常它需要多久執行。它是一個多項式時間演算法當且僅當 **P**=**NP**。 ``` // 接受NP完全語言的一個演算法子集和。 // // 這是一個多項式時間演算法當且僅當P=NP。 // // 「多項式時間」表示它在多項式時間內返回「是」,若 // 結果是「是」,否則永遠運行。 // // 輸入:S = 一個自然數的有限集 // 輸出:"是"如果某個S的子集加起來等於0。 // 否則,它永遠運行沒有輸出。 // 注意: "程式數P"是你將一個整數P寫為二進制,然後 // 將位元串考慮為一個程式。 // 每個可能的程式都可以這樣產生, // 雖然多數什麼也不做因為有語法錯誤。 // FOR N = 1...infinity FOR P = 1...N 以S為輸入運行程式數P N步 IF程式輸出一個不同的整數的列表 AND所有整數都在S中 AND整數的和為0 THEN OUTPUT "是"並 停機 ``` 若 **P**=**NP**,則這是一個接受一個 NP 完全語言的多項式時間演算法。「接受」表示它在多項式時間內給出「是」的答案,但允許在答案是「否」的時候永遠執行。
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P=NP
可能我們想要「解決」子集和問題,而不是僅僅「接受」子集和語言。這表示我們想要它總是停機並返回一個「是」或「否」的答案。是否存在任何可能在多項式時間內解決這個問題的演算法?沒有人知道。但是如果這樣的演算法存在,那麼我們已經知道其中的一些了!只要將上面的演算法中的 IF 語句替換成下面的語句: ``` IF程式輸出一個完整的數學證明 AND證明的每一步合法 AND結論是S確實有(或者沒有)一個和為0的子集 THEN OUTPUT "是"(如果獲證實,就"不是")並停機 ``` ## 邏輯表述 P=NP 問題可以用邏輯命題的特定類的可表達性的術語來重新表述。所有 P 中的語言可以用一階邏輯加上最小不動點操作(實際上,這允許了遞迴函式的定義)來表達。類似,NP 是可以用存在性二階邏輯來表達 — 也就是,在關係、函式、和子集上排除了全稱量詞的二階邏輯。多項式等級,PH 中的語言對應與所有的二階邏輯。這樣,「P 是 NP 的真子集嗎」這樣的問題可以表述為「是否存在性二階邏輯能夠表達帶最小不動點操作的一階邏輯的所不能表達的語言?」 ## 花絮 普林斯頓大學電腦系樓將二進位代碼表述的「P=NP?」問題刻進頂樓西面的磚頭上。如果證明了 P=NP,磚頭可以很方便的換成表示「P=NP!」。 康奈爾大學的 Hubert Chen 博士提供了這個玩笑式的 P 不等於 NP 的證明: > 反證法。設 P=NP。令 y 為一個 P=NP 的證明。證明 y 可以用一個合格的電腦科學家在多項式時間內驗證,我們認定這樣的科學家的存在性為真,但因為 P=NP,該證明 y 可在多項式時間內由這樣的科學家發現,但是這樣的發現還沒有發生(雖然這樣的科學家試圖發現這樣的一個證明),我們得到矛盾。 > > ## 註釋 ## 參考文獻 ## 延伸閱讀 ## 外部連結 * 未來數學家的挑戰(P 與 NP 的簡介,清楚明瞭)(頁面存檔備份,存於網際網路檔案館)(繁體中文) * The Clay Math Institute Millennium Prize Problems * Computational Complexity of Games and Puzzles(頁面存檔備份,存於網際網路檔案館)
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P=NP
* Manindra Agarwal, Nitin Saxena, Neeraj Kayal, "PRIMES is in P", Preprint, August 6, 2002 * The "PRIMES is in P" FAQ * Scott Aaronson's Complexity Zoo(頁面存檔備份,存於網際網路檔案館) ## 參見 * P (複雜度) * NP (複雜度) * NP 完全 * 未解決數學問題 * NP-complete 問題列表 * 幾乎完備(Almost complete)問題與弱完備(weakly complete)問題 * ASR-complete * Ladner 理論 * NP 困難
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物質不滅
**質量守恆定律**(law/principle of conservation of mass)是自然界普遍存在的基本定律之一。此定律指出,對於任何一個物質和能量的所有轉移都封閉的系統(封閉系統)而言,系統的質量必須隨時間推移保持不變;又因系統質量不能改變,所以系統的量既不能添加亦不能移除。據此,質量的量值隨著時間變化並不改變而是守恆的。這定律意味著質量既不能被創造也不能被破壞,儘管它可能在空間中重新排列,或者與之相關的實體可能在形式上發生變化,例如在化學反應中,反應前化學成分的質量是等於反應後分子的總質量。 因此,在孤立系統中的任何化學反應和低能量熱力學過程期間,反應物或起始材料的總質量必須等於產物的質量。質量守恆的概念在化學,力學和流體動力學等許多領域得到了廣泛的應用。歷史上,米哈伊爾・羅蒙諾索夫和安東萬・拉瓦節分別獨立發現了化學反應中的質量守恆。從煉金到化學的現代自然科學,這一規律的製定至關重要。 質量的守恆只是近似的,被認為是來自經典力學的一系列假設的一部分。在質量 - 能量等價的原則下,必須對該定律進行修改,使其符合量子力學和狹義相對論的規律,即能量和質量形成一個守恆量。對於非常有能量的系統來說,質量守恆是不成立的,核反應和粒子物理學中的粒子 - 反粒子湮滅就是這種情況。 質量在開放系統中通常也不守恆。當各種形式的能源和物質被允許進出系統時就是這種情況。然而,除非涉及放射性或核反應,否則從熱量,機械功或電磁輻射等系統逸出的能量通常太小而不能被測量為系統質量的下降。 對於涉及大引力場的系統,必須考慮廣義相對論,其中質能守恆成為一個更為複雜的概念,受到不同定義的限制,質量和能量也不如嚴格守恆狹義相對論。 ## 化學領域的質量守恆定律 **質量守恆定律**:任何一種化學反應,其反應前後的質量總是不變的。但是,一個物體在作用時需要在密閉的環境下,質量才會相同,若是在大氣中,質量會變重,是因為與空氣結合。 * 物質不會憑空消失,若反應前後質量減少,代表產生的物質散失在空氣中。 * 物質不會無中生有,若反應後質量增加,代表外界的物質參與反應。
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物質不滅
化學反應因沒有原子變化,質量總是守恆的(無論是動質量還是靜質量)。根據道爾頓的原子說,化學反應只是物質中原子的重新排列,反應前後原子種類及數目不變,又每個原子有固定質量,所以反應前後總質量不變。具體來說,化學反應裡面,物質的元素數目無論在反應前或反應後,都是一樣。化學反應中的質量守恆包括原子守恆、電荷守恆、元素守恆等幾個方面。 化學領域的質量守恆定律,實際上就是艾薩克・牛頓的 "物質不滅定律"。 ## 物理學領域的質量守恆定律 牛頓力學的質量守恆定律,與化學領域的質量守恆定律是相同的,都可以稱為 "靜止質量守恆定律",這個定律在現代物理學體系內不再成立,取而代之的是 "運動質量守恆定律", 不會混淆時也簡稱 "質量守恆定律"。 核反應中由於原子核本身發生了變化,且反應產生的原子核碎片具有極高的速度,因此靜質量是不守恆的,反應前後的質量虧損服從質能方程,這也是核武器的理論原理。但在核反應前後能量守恆,所以其運動質量也是守恆的。在相對論中,(運動) 質量守恆和能量守恆可以合併為一個定律。 ## 參見 * 能量守恆定律 * 動量守恆定律 * 角動量守恆定律 * 電荷守恆定律 ## 參考
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閘極_(電晶體)
**場效電晶體**(英語:**f**ield-**e**ffect **t**ransistor,縮寫:**FET**)是一種通過電場效應控制電流的電子元件。 它依靠電場去控制導電通道形狀,因此能控制半導體材料中某種類型載子的通道的導電性。場效應電晶體有時被稱為「單極性電晶體」,以它的單載子型作用對比雙極性電晶體。由於半導體材料的限制,以及曾經雙極性電晶體比場效應電晶體容易製造,場效應電晶體比雙極性電晶體要晚造出,但場效應電晶體的概念卻比雙極性電晶體早。 ## 歷史 場效應電晶體於 1925 年由 Julius Edgar Lilienfeld 和於 1934 年由 Oskar Heil 分別發明,但是實用的元件一直到 1952 年才被製造出來(結型場效應電晶體)。1960 年 Dawan Kahng 發明了金屬氧化物半導體場效應電晶體,從而大部分代替了 JFET,對電子行業的發展有著深遠的意義。 ## 原理 ## 電極 所有的 FET 都有閘極(gate)、汲極(drain)、源極(source)三個端,分別大致對應雙極性電晶體的基極(base)、集極(collector)和射極(emitter)。除了結型場效應管外,所有的 FET 也有第四端,被稱為體(body)、基(base)、塊體(bulk)或基板(substrate)。這個第四端可以將電晶體調變至運行;在電路設計中,很少讓體端發揮大的作用,但是當物理設計一個積體電路的時候,它的存在就是重要的。在圖中閘極的長度(length)L,是指源極和汲極的距離。寬度(width)是指電晶體的範圍,在圖中和橫截面垂直。通常情況下寬度比長度大得多。長度 1 微米的閘極限制最高頻率約為 5GHz,0.2 微米則是約 30GHz。 這些端的名稱和它們的功能有關。閘極可以被認為是控制一個物理柵的開關。這個閘極可以通過製造或者消除源極和汲極之間的通道,從而允許或者阻礙電子流過。如果受一個外加的電壓影響,電子流將從源極流向汲極。體很簡單的就是指閘極、汲極、源極所在的半導體的塊體。通常體端和一個電路中最高或最低的電壓相連,根據類型不同而不同。體端和源極有時連在一起,因為有時源也連在電路中最高或最低的電壓上。當然有時一些電路中 FET 並沒有這樣的結構,比如級聯傳輸電路和串疊式電路。 ## 組成
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閘極_(電晶體)
FET 由各種半導體構成,目前矽是最常見的。大部分的 FET 是由傳統塊體半導體製造技術製造,使用單晶半導體矽片作為反應區,或者通道。 大部分的不常見體材料,主要有非晶矽、多晶矽或其它在薄膜電晶體中,或者有機場效應電晶體中的非晶半導體。有機場效應電晶體基於有機半導體,常常用有機柵絕緣體和電極。 ## 場效應電晶體的類型 摻雜 FET(解釋如下)的通道用來製造 N 型半導體或 P 型半導體。在空乏模式的 FET 下,漏和源可能被摻雜成不同類型至通道。或者在提高模式下的 FET,它們可能被摻雜成相似類型。場效應電晶體根據絕緣通道和柵的不同方法而區分。FET 的類型有: * **DEPFET**(Depleted FET)是一種在完全空乏基底上製造,同時用為一個感應器、放大器和記憶極的 FET。它可以用作圖像(光子)感應器。 * **DGMOFET**(Dual-gate MOSFET)是一種有兩個閘極的 MOSFET。 * **DNAFET** 是一種用作生物感應器的特殊 FET,它通過用單鏈 DNA 分子製成的閘極去檢測相配的 DNA 鏈。 * **FREDFET**(Fast Recovery Epitaxial Diode FET)是一種用於提供非常快的重啟(關閉)體二極體的特殊 FET。 * **HEMT**(高電子移動率電晶體,High Electron Mobility Transistor),也被稱為 HFET(異質接面場效應電晶體,heterostructure FET),是運用帶隙工程在三重半導體例如 AlGaAs 中製造的。完全空乏寬帶隙造成了閘極和體之間的絕緣。 * **IGBT**(Insulated-Gate Bipolar Transistor)是一種用於電力控制的元件。它和類雙極主導電通道的 MOSFET 的結構類似。它們一般用於漏源電壓範圍在 200-3000 伏的運行。功率 MOSFET 仍然被選擇為漏源電壓在 1 到 200 伏時的元件. * **ISFET** 是離子敏感的場效應電晶體(Ion-Sensitive Field Effect Transistor), 它用來測量溶液中的離子濃度。當離子濃度(例如 pH 值)改變,通過電晶體的電流將相應的改變。 * **JFET** 用相反偏壓的 p-n 結去分開閘極和體。
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閘極_(電晶體)
* **MESFET**(Metal-Semiconductor FET)用一個蕭特基勢壘替代了 JFET 的 PN 接面;它用於 GaAs 和其它的三五族半導體材料。 * **MODFET**(Modulation-Doped FET)用了一個由篩選過的活躍區摻雜組成的量子阱結構。 * **MOSFET** 用一個絕緣體(通常是二氧化矽)於柵和體之間。 * **NOMFET** 是奈米粒子有機記憶場效應電晶體(Nanoparticle Organic Memory FET)。[1](頁面存檔備份,存於網際網路檔案館) * **OFET** 是有機場效應電晶體(Organic FET),它在它的通道中用有機半導體。 ## FET 工作 ### 閘極電壓對電流的影響 FET 通過影響導電通道的尺寸和形狀,控制從源到漏的電子流(或者電洞流)。通道是由(是否)加在閘極和源極的電壓而創造和影響的(為了討論的簡便,這默認體和源極是相連的)。導電通道是從源極到汲極的電子流。 #### 空乏模式 在一個 n 通道 "空乏模式" 元件,一個負的閘源電壓將造成一個空乏區去拓展寬度,自邊界侵占通道,使通道變窄。如果空乏區擴展至完全關閉通道,源極和汲極之間通道的電阻將會變得很大,FET 就會像開關一樣有效的關閉(如右圖所示,當閘極電壓很低時,導電通道幾乎不存在)。類似的,一個正的柵源電壓將增大通道尺寸,而使電子更易流過(如右圖所示,當閘極電壓足夠高時,通道導通)。 #### 增強模式 相反的,在一個 n 通道 "增強模式" 元件中,一個正的柵源電壓是製造導電通道所必需的,因為它不可能在電晶體中自然的存在。正電壓吸引了導體中的自由移動的電子向閘極運動,形成了導電通道。但是首先,充足的電子需要被吸引到閘極的附近區域去對抗加在 FET 中的摻雜離子;這形成了一個沒有運動載子的被稱為空乏區的區域,這種現象被稱為 FET 的閾值電壓。更高的柵源電壓將會吸引更多的電子通過閘極,則會製造一個從源極到汲極的導電通道;這個過程叫做 "反型"。 ### 汲極源極電壓對電流的影響 無論是增強模式還是空乏模式元件,在漏源電壓遠小於柵源電壓時,改變閘極電壓將改變通道電阻,漏電流將和漏電壓(相對於源極的電壓)成正比。在這種模式下 FET 將像一個可變電阻一樣運行,被稱為 "線性模式" 或 "歐姆模式"。
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閘極_(電晶體)
如果漏源電壓增長了,由於源漏電位的梯度,它將造成通道形狀上的一個很大的非對稱改變。在通道的漏末端,反型區域的形狀變成夹止(pinched-off)。如果漏源電壓進一步增長,通道的夹止點將開始離開汲極,向源極移動。這種 FET 被稱為 "飽和模式"; 一些作者把它稱為 "主動模式",為了更好的和雙極電晶體操作區對比。 當需要放大的時候一般用飽和模式或者歐姆模式與飽和模式的中間模式。中間模式有時被認為是歐姆或線性模式的一部分,儘管漏電流並不隨著漏電壓大致線性增長。 儘管在飽和模式下,柵源電壓形成的導電通道不再和源相連,載子的流動並沒有被禁止。重新考慮 n 通道元件,空乏區存在於 p 型體中的導電通道和漏、源區域周圍。如果受到漏源電壓向漏方向的吸引,組成通道的電子將通過空乏區自由的從通道中移走。空乏區將沒有載子,而有近似於矽的電阻。任何漏源電壓的增長將增加汲極到夹止點的距離,相對於空乏區增加的電阻和加在漏源上的電壓成正比。這種正比的變化造成漏源電流保持相對固定的對漏源電壓的獨立變化,這和線性模式運行有所不同。儘管在飽和模式下,FET 就像一個穩恆電流源而不是電阻,它可以在電壓放大器中大多數有效的運用。在這種情況下,柵源電壓決定了通過通道的固定電流的大小。 ## 用途 IGBT 在開關內燃機點燃管中有用。快速開關和電壓阻礙能力在內燃機中是非常重要的。 大部分常用的 FET 是金屬氧化物半導體場效電晶體。互補式金屬氧化物半導體過程技術是現代數位積體電路的基礎。這個過程技術排列了相連成串的 p 通道 MOSFET 和 n 通道 MOSFET(通常在提高模式),使得當一個開,另一個則關。 MOSFET 中柵和通道之間的脆弱絕緣層使得它在操作中容易受到靜電損壞。元件在合適的設計電路中安裝後則通常不成問題。 在 FET 中,當在線性模式下運行,電子能向各個方向流動通過通道。當元件是特別的(但並不是經常的)從源極到汲極的對稱製造,汲極和源極的名稱變化有時是隨機的。這使得 FET 適合用來開關路程間的類比訊號(多路技術)。例如,由這一概念,固體混合板就可以被構造出。 ## 參考文獻 ## 參見 * 化學場效電晶體 * MOSFET * 高電子遷移率電晶體 ## 外部連結 * PBS The Field Effect Transistor(頁面存檔備份,存於網際網路檔案館) * Junction Field Effect Transistor
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閘極_(電晶體)
* The Enhancement Mode MOSFET * CMOS gate circuitry(頁面存檔備份,存於網際網路檔案館) * Winning the Battle Against Latchup in CMOS Analog Switches(頁面存檔備份,存於網際網路檔案館) * Nanotube FETs at IBM Research(頁面存檔備份,存於網際網路檔案館) * Field Effect Transistors in Theory and Practice(頁面存檔備份,存於網際網路檔案館) * The Field Effect Transistor as a Voltage Controlled Resistor
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