publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2009-09-02 | Surface energies of stoichiometric FePt and CoPt alloys and their implications for nanoparticle morphologies | We have calculated surface energies and surface magnetic order of various
low-indexed surfaces of monoatomic Fe, Co, and Pt, and binary, ordered FePt,
CoPt, and MnPt using density functional theory. Our results for the binary
systems indicate that elemental, Pt-covered surfaces are preferred over Fe- and
Co-covered and... | 0909.0420v2 |
2009-09-29 | A model for shape memory alloys with the possibility of voids | The paper is devoted to the study of a mathematical model for the
thermomechanical evolution of metallic shape memory alloys. The main novelty of
our approach consists in the fact that we include the possibility for these
materials to exhibit voids during the phase change process. Indeed, in the
engineering paper has b... | 0909.5286v1 |
2009-10-27 | Pressure-induced phonon-freezing in the ZnBeSe alloy: a study via the percolation mesoscope | We use the 1-bond -> 2-phonon percolation doublet of zincblende alloys as a
mesoscope for an unusual insight into their phonon behavior under pressure. We
focus on (Zn,Be)Se and show by Raman scattering that the original Be-Se doublet
at ambient pressure, of the stretching-bending type, turns into a pure-bending
single... | 0910.5175v2 |
2009-10-31 | Compensation temperature of 3d mixed ferro-ferrimagnetic ternary alloy | In this study, we have considered the three dimensional mixed
ferro-ferrimagnetic ternary alloy model of the type AB$_{p}$C$_{1-p}$ where the
A and X (X=B or C) ions are alternately connected and have different Ising
spins S$^{A}$=3/2, S$^{B}$=1 and S$^{C}$=5/2, respectively. We have
investigated the dependence of the ... | 0911.0078v1 |
2009-11-23 | The Geometry of Slow Structural Fluctuations in a Supercooled Binary Alloy | The liquid structure of a glass-forming binary alloy is studied using
molecular dynamics simulations. The analysis combines common neighbour analysis
with the geometrical approach of Frank and Kasper to establish that the
supercooled liquid contains extended clusters characterised by the same short
range order as the c... | 0911.4509v1 |
2009-11-24 | An Equation of State for Anisotropic Solids under Shock Loading | An anisotropic equation of state is proposed for accurate extrapolation of
high-pressure shock Hugoniot states to other thermodynamics states for shocked
single crystals and polycrystalline alloys. The proposed equation of state
represents mathematical and physical generalization of the Mie-Gr\"{u}neisen
equation of st... | 0911.4717v2 |
2009-12-01 | A common magnetic origin for the Invar effects in fcc iron-based ferromagnets | Using first-principles calculations, in conjunction with Ising magnetism, we
undertake a theoretical study to elucidate the origin of the experimentally
observed Invar effects in disordered fcc iron-based ferromagnets. First, we
show that our theory can account for the Invar effects in iron-nickel alloys,
the anomalies... | 0912.0215v4 |
2009-12-11 | Model for solute diffusion during rapid solidification of binary alloy in semi-infinite volume | On the basis of local nonequilibrium approach, the one-dimensional model of
the solute diffusion during rapid solidification of the binary alloy in the
semi-infinite volume is considered. Within the scope of the model it is
supposed that mass transport is described by the telegrapher equation. The
basic assumption conc... | 0912.2309v4 |
2010-01-08 | Vibrational properties of alpha- and sigma-phase Fe-Cr alloy | Experimental investigation as well as theoretical calculations, of the
Fe-partial phonon density-of-states (DOS) for nominally Fe_52.5Cr_47.5 alloy
having (a) alpha- and (b) sigma-phase structure were carried out. The former at
sector 3-ID of the Advanced Photon Source, using the method of nuclear resonant
inelastic X-... | 1001.1211v1 |
2010-01-12 | Optical absorption spectrum in disordered semiconductor multilayers | The effects of chemical disorder on the electronic and optical properties of
semiconductor alloy multilayers are studied based on the tight-binding theory
and single-site coherent potential approximation. Due to the quantum
confinement of the system, the electronic spectrum breaks into a set of
subbands and the electro... | 1001.2000v3 |
2010-01-27 | An anomalous butterfly-shaped magnetoresistance loop in an alloy, Tb4LuSi3 | Magnetic-field (H) induced first-order magnetic transition and the assiciated
electronic phase-separation phenomena are active topics of research in
magnetism. Magnetoresistance (MR) is a key property to probe these phenomena
and, in literature, a butterfly-shaped MR loop has been noted while cycling the
field, with th... | 1001.4942v1 |
2010-02-08 | Spacing Characterization in Al-Cu Alloys Directionally Solidified Under Transient Growth Conditions | We study spacing selection in directional solidification of Al-Cu alloys
under transient growth conditions. New experimental results are presented which
reveal that dendritic spacing versus solidification rate evolves in an almost
step-wise fashion, consistent with previous theoretical predictions of Langer
and co-work... | 1002.1699v1 |
2010-02-12 | \textit{Ab initio} study of interacting lattice vibrations and stabilization of the $β$-phase in Ni-Ti shape-memory alloy | Lattice dynamical methods used to predict phase-transformations in crystals
typically evaluate the harmonic phonon spectra and therefore do not work in
frequent and important situations where the crystal structure is unstable in
the harmonic approximation, such as the $\beta$ structure when it appears as a
high-tempera... | 1002.2482v2 |
2010-03-02 | Vacancy-tuned paramagnetic/ferromagnetic martensitic transformation in Mn-poor Mn_{1-x}CoGe alloys | It is shown that a temperature window between the Curie temperatures of
martensite and austenite phases around the room temperature can be obtained by
a vacancy-tuning strategy in Mn-poor Mn1-xCoGe alloys (0 <= x <= 0.050). Based
on this, a martensitic transformation from paramagnetic austenite to
ferromagnetic martens... | 1003.0489v3 |
2010-03-03 | On the Debye temperature in sigma-phase Fe-V alloys | A series of sigma-phase Fe_{100-x}V_x samples with 34.4 < x < 59.0 were
investigated by neutron and X-ray diffraction and Mossbauer spectroscopy (MS)
techniques. The first two methods were used for verification of the
transformation from alpha to sigma phase and they also permitted to determine
lattice parameters of th... | 1003.0811v1 |
2010-03-10 | Force-matched embedded-atom method potential for niobium | Large-scale simulations of plastic deformation and phase transformations in
alloys require reliable classical interatomic potentials. We construct an
embedded-atom method potential for niobium as the first step in alloy potential
development. Optimization of the potential parameters to a well-converged set
of density-f... | 1003.2210v2 |
2010-03-22 | Dissociative adsorption of methane on surface oxide structures of Pd-Pt alloys | The dissociative adsorption of methane on variously oxidized Pd, Pt and Pd-Pt
surfaces is investigated using density-functional theory, as a step towards
understanding the combustion of methane on these materials. For Pd-Pt alloys,
models of surface oxide structures are built on the basis of known oxides on Pd
and Pt. ... | 1003.4114v1 |
2010-04-07 | Indium-Gallium Segregation in CuIn$_{x}$Ga$_{1-x}$Se$_2$: An ab initio based Monte Carlo Study | Thin-film solar cells with CuIn$_x$Ga$_{1-x}$Se$_2$ (CIGS) absorber are still
far below their efficiency limit, although lab cells reach already 19.9%. One
important aspect is the homogeneity of the alloy. Large-scale simulations
combining Monte Carlo and density functional calculations show that two phases
coexist in ... | 1004.1080v1 |
2010-04-21 | Effects of Spin Fluctuations and Anomalous Thermal Expansion of delta-Plutonium | We suggest a model for the magnetic dynamics of - plutonium and its alloys in
order to show that the dynamical fluctuations of the magnetization density, or
spin fluctuations, may be responsible for the anomalies of their observed
thermal expansion. We show that due to strong magneto-elastic coupling, spin
fluctuations... | 1004.3658v1 |
2010-05-07 | Tuning independently Fermi energy and spin splitting in Rashba systems: Ternary surface alloys on Ag(111) | By detailed first-principles calculations we show that the Fermi energy and
the Rashba splitting in disordered ternary surface alloys (BiPbSb)/Ag(111) can
be independently tuned by choosing the concentrations of Bi and Pb. The
findings are explained by three fundamental mechanisms, namely the relaxation
of the adatoms,... | 1005.1162v1 |
2010-06-21 | Signatures of a quantum Griffiths phase in a d-metal alloy close to its ferromagnetic quantum critical point | We report magnetization ($M$) measurements close to the ferromagnetic quantum
phase transition of the d-metal alloy Ni$_{1-x}$V$_x$ at a vanadium
concentration of $x_c \approx 11.4 %$. In the diluted regime ($x>x_c$), the
temperature ($T$) and magnetic field ($H$) dependencies of the magnetization
are characterized by ... | 1006.4094v2 |
2010-07-03 | Reentrant behavior of superconducting alloys | A dirty BCS superconductor with magnetic impurities is studied. Asymptotic
solution of the thermodynamics of such superconductor with spin $1/2$ and $7/2$
magnetic impurities, is found. To this end, the system's free energy $f(H,
\beta)$ is bounded from above and below by mean-field type bounds, which are
shown to coal... | 1007.0476v1 |
2010-08-17 | Spin projection and spin current density within relativistic electronic transport calculations | A spin projection scheme is presented which allows the decomposition of the
electric conductivity into two different spin channels within fully
relativistic $ab$ $initio$ transport calculations that account for the impact
of spin-orbit coupling. This is demonstrated by calculations of the
spin-resolved conductivity of ... | 1008.2900v1 |
2010-08-27 | Optical orientation and spin-dependent recombination in GaAsN alloys under continuous-wave pumping | We present a systematic theoretical study of spin-dependent recombination and
its effect on optical orientation of photoelectron spins in semiconductors with
deep paramagnetic centers. For this aim we generalize the Shockley-Read theory
of recombination of electrons and holes through the deep centers with allowance
for... | 1008.4755v1 |
2010-09-14 | Impact of gamma' particle coarsening on the critical resolved shear stress of nickel-base superalloys with low aluminium and/or titanium content | In Ni-base superalloys with low Al and/or Ti content the precipitation and
subsequent coarsening of gamma' particles at intermediate temperatures
contribute to the degradation of the mechanical properties of the alloy. In the
present paper the coarsening process is modelled and the change of the critical
resolved shear... | 1009.2676v1 |
2010-09-16 | The rise of spin-flip transitions in the anomalous Hall effect of FePt alloy | We carry out first-principles calculations which demonstrate the importance
of spin-flip transitions for the intrinsic anomalous Hall conductivity of
ordered FePt alloys. We show the such transitions get enhanced by large
spin-orbit coupling of Pt atoms, becoming negligible when Pt is replaced by
lighter isoelectronic ... | 1009.3184v1 |
2010-09-24 | Surface-directed spinodal decomposition in the pseudobinary alloy (HfO_2)_x(SiO_2)_{1-x} | Hf silicate films (HfO_2)_{0.25}(SiO_2)_{0.75} with thicknesses in the range
4-20 nm were grown on silicon substrate by atomic layer deposition at 350
deg.C.The Hf distributions in as-grown and 800 deg.C annealed films were
investigated by high resolution transmission electron microscopy (HRTEM),
angle-resolved x-ray p... | 1009.4946v1 |
2010-09-30 | Temperature Dependence of the Dynamics of Portevin-Le Chatelier Effect in Al-2.5%Mg alloy | Tensile tests were carried out by deforming polycrystalline samples of
Al-2.5%Mg alloy at four different temperatures in an intermediate strain rate
regime of 2x10-4s-1 to 2x10-3s-1. The Portevin-Le Chatelier (PLC) effect was
observed throughout the strain rate and temperature region. The mean cumulative
stress drop ma... | 1009.6043v1 |
2010-10-01 | Nanocrystalline Zr3Al Made through Amorphization by Repeated Cold Rolling and Followed by Crystallization | The intermetallic compound Zr3Al is severely deformed by the method of
repeated cold rolling. By X-ray diffraction it is shown that this leads to
amorphization. TEM investigations reveal that a homogeneously distributed
debris of very small nanocrystals is present in the amorphous matrix that is
not resolved by X-ray d... | 1010.0190v1 |
2010-10-06 | Multiband tight-binding theory of disordered ABC semiconductor quantum dots: Application to the optical properties of alloyed CdZnSe nanocrystals | Zero-dimensional nanocrystals, as obtained by chemical synthesis, offer a
broad range of applications, as their spectrum and thus their excitation gap
can be tailored by variation of their size. Additionally, nanocrystals of the
type ABC can be realized by alloying of two pure compound semiconductor
materials AC and BC... | 1010.1168v1 |
2010-10-26 | Short-Range Order in Fe-Rich Fe-Cr Alloys as Revealed by Mössbauer Spectroscopy | Distribution of Cr atoms in Fe_{100-x}Cr_x alloys with x \le 25 within the
first two coordination shells, 1NN-2NN, around probe 57Fe atoms was studied by
means of the M\"ossbauer Spectroscopy. Clear evidence was found that the
distribution is characteristic of a given atomic configuration. Only the
configurations with ... | 1010.5352v2 |
2010-11-01 | Optimal and hysteretic fluxes in alloy solidification: Variational principles and chimney spacing | We take a numerical approach to analyze the mechanisms controlling the
spacing of chimneys -- channels devoid of solid -- in two-dimensional mushy
layers formed by solidifying a binary alloy. Chimneys are the principal
conduits through which buoyancy effects transport material out of the mushy
layer and into the liquid... | 1011.1223v1 |
2010-11-17 | Oxidation resistance of graphene-coated Cu and Cu/Ni alloy | The ability to protect refined metals from reactive environments is vital to
many industrial and academic applications. Current solutions, however,
typically introduce several negative effects, including increased thickness and
changes in the metal physical properties. In this paper, we demonstrate for the
first time t... | 1011.3875v1 |
2010-12-04 | Study of magnetic alloy cores for HIRFL-CSRm compressor cavity | For selecting the properly magnetic alloy (MA) material to load the RF
compression cavity, the measurement of the MA cores which is produced by Liyuan
Company has been carried out at IMP. We measured 4 kinds of MA core materials,
type V1, V2, A1 and A2. And we mainly focus on the permeability, quality factor
(Q value) ... | 1012.0897v1 |
2010-12-15 | Complex magnetic behavior and high spin polarization in Fe(3-x)Mn(x)Si alloys | Fe3Si is a ferromagnetic material with possible applications in magnetic
tunnel junctions. When doped with Mn, the material shows a complex magnetic
behavior, as suggested by older experiments. We employed the
Korringa-Kohn-Rostoker (KKR) Green function method within density-functional
theory (DFT) in order to study th... | 1012.3463v1 |
2010-12-22 | A scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys | We present an extension of the semi-grandcanonical (SGC) ensemble that we
refer to as the variance-constrained semi-grandcanonical (VC-SGC) ensemble. It
allows for transmutation Monte Carlo simulations of multicomponent systems in
multiphase regions of the phase diagram and lends itself to scalable
simulations on massi... | 1012.5082v2 |
2010-12-25 | Scattering effect in proton beam windows at spallation targets | Proton beam window (PBW) is a boundary wall between a high vacuum area in the
proton beam line and the helium atmosphere in a helium vessel at a high beam
power target. The thermal and mechanical problems of the PBW have been studied
in other spallation neutron sources; however, the scattering effect in PBW is
seldom r... | 1012.5460v2 |
2011-01-11 | Transport and magnetic behavior under pressure and high-resolution photoemission studies of Ce2Rh(o.7)Co(0.3)Si3, an alloy on the verge of quantum critical point | We report the influence of external pressure on the temperature dependence of
magnetization and electrical resistivity as well as high-resolution
photoemission studies for an alloy, Ce2Rh(0.7)Co(0.3)Si3, ordering magnetically
below 3 K. It is found that the external pressure has the same effect as that
induced by (furt... | 1101.2012v1 |
2011-02-09 | Suppression of time reversal symmetry breaking superconductivity in Pr(Os,Ru)_4Sb_12 and (Pr,La)Os_4Sb_12 | Zero-field muon spin relaxation experiments have been carried out in the
Pr(Os_{1-x}Ru_x)_4Sb_12 and Pr_{1-y}La_yOs_4Sb_12 alloy systems to investigate
broken time-reversal symmetry (TRS) in the superconducting state, signaled by
the onset of a spontaneous static local magnetic field B_s. In both alloy
series B_s initi... | 1102.1997v1 |
2011-02-16 | The role of spin-flip transitions in the anomalous Hall effect of FePt alloy | We carry out first-principles calculations which demonstrate the importance
of the non-spin-conserving part of the spin-orbit interaction for the intrinsic
anomalous Hall conductivity of ordered FePt alloys. The impact of this
interaction is strongly reduced if Pt is replaced by the lighter isoelectronic
element Pd. An... | 1102.3376v1 |
2011-02-28 | Charge transfer on the metallic atom pair bond, and the crystal structures adopted by intermetallic compounds | Pauling had proposed that charge is transferred from the more electronegative
atom to the less electronegative one during metallic alloying. An expression
has recently been derived for the energy of the unlike atom-pair bond using
that concept. In this paper, Pauling's view is further supported by showing
that the elec... | 1102.5655v1 |
2011-03-01 | The investigation of YAlO3-NdAlO3 system, synthesis and characterization | The binary phase diagram of the YAlO3 (YAP) - NdAlO3 (NAP) system was
determined by differential thermal analysis (DTA) and X-ray powder diffraction
(XRD) measurements. High purity nanocrystalline powders and small single
crystals of Y_{1-x}Nd_{x}AlO_3 (0 \leq x \leq 1) have been produced
successfully by modified sol-g... | 1103.0180v2 |
2011-03-02 | Reversible attachment of platinum alloy nanoparticles to non-functionalized carbon nanotubes | The formation of monodisperse, tunable sized, alloyed nanoparticles of Ni,
Co, or Fe with Pt and pure Pt nanoparticles attached to carbon nanotubes has
been investigated. Following homogeneous nucleation, nanoparticles attach
directly to non-functionalized singlewall and multiwall carbon nanotubes during
nanoparticle s... | 1103.0496v1 |
2011-04-20 | Bandgap engineering of Cd1-xSrxO | Structural, electronic and optical properties of Cd1-xSrxO (0 \leq x \leq 1)
are calculated for the first time using density functional theory. Our results
show that these properties are strongly dependent on x. The bond between Cd and
O is partially covalent and the covalent nature of the bond decreases as the
concent... | 1104.4085v1 |
2011-05-30 | Dislocation Driven Chromium Precipitation in Fe-9Cr Binary Alloy: A Positron Lifetime Study | The influence of initial heat treatment on anomalous Cr precipitation within
high temperature solubility region in Fe-9Cr alloy has been investigated using
positron lifetime studies. Air-quenched samples with pre-existing dislocations
exhibited a distinct annealing stage in positron lifetime between 800 and 1100
K corr... | 1105.5880v2 |
2011-06-08 | Relating field-induced shift in transition temperature to the kinetics of coexisting phases in magnetic shape memory alloys | In a magnetic shape memory alloy system, we vary composition following
phenomenological arguments to tune macroscopic properties. We achieve
significantly higher shift in austenite to martensitic phase transition
temperature with magnetic field. This enhancement is accompanied by significant
broadening of the transitio... | 1106.1532v1 |
2011-07-11 | The Inner Crust and its Structure | In this chapter we discuss some possible physical pictures that describe the
constitution of the inner crust of compact objects. Different relativistic
models both with constant couplings and density dependent ones are used. We
calculate the liquid-gas phase transition in asymmetric nuclear matter from the
thermodynami... | 1107.2099v3 |
2011-07-13 | The MOLDY short-range molecular dynamics package | We describe a parallelised version of the MOLDY molecular dynamics program.
This Fortran code is aimed at systems which may be described by short-range
potentials and specifically those which may be addressed with the embedded atom
method. This includes a wide range of transition metals and alloys. MOLDY
provides a ran... | 1107.2619v1 |
2011-07-29 | A macroscale, phase-field model for shape memory alloys with non-isothermal effects: influence of strain-rate and environmental conditions on the mechanical response | A Ginzburg-Landau model for the macroscopic behaviour of a shape memory alloy
is proposed. The model is one-dimensional in essence, in that we consider the
effect of the martensitic phase transition in terms of a uniaxial deformation
along a fixed direction and we use a scalar order parameter whose equilibrium
values d... | 1107.5998v1 |
2011-08-11 | Ordering in ternary nitride semiconducting alloys | We present a thorough theoretical study of ordering phenomena in nitride
ternary alloys GaInN, AlInN, and AlGaN. Using the Monte Carlo approach and
energetics based on the Keating model we analyze the influence of various
factors on ordering in bulk crystals and epitaxial layers. We characterize the
degree of both shor... | 1108.2447v2 |
2011-08-15 | Nanostructured Melt-Spun Sm(Co,Fe,Zr,B)7:5 Alloys for High-Temperature Magnets | High coercivity, the highest for Cu-free 2 : 17 Sm-Co ribbons, has been
obtained in as-spun (= 211 kOe) and short time annealed (= 232 kOe) samples of
Sm(CobalFe Zr B)7 5 alloys, with varying B, Zr, and Fe content (= 0-0 06, = 0-0
16, = 0 08-0 3) and wheel speed. In as-spun samples, the TbCu7 type structure
and in anne... | 1108.2988v1 |
2011-08-15 | With no Color and Scent: Nanoflowers of Metals and Alloys | Ordered volume submicron surface structures "nanoflowers" - are obtained
while growing metal nanowires in porous membranes by means of pulsed current
electroplating. These structures occur if the electroplating is continued after
the nanowires appear on the membrane surface. Various ordered Ag, Pb, PdNi and
PbIn volume... | 1108.4589v1 |
2011-09-26 | Electronic Transport in Metallic Systems and Generalized Kinetic Equations | This paper reviews some selected approaches to the description of transport
properties, mainly electroconductivity, in crystalline and disordered metallic
systems. A detailed qualitative theoretical formulation of the electron
transport processes in metallic systems within a model approach is given.
Generalized kinetic... | 1109.5532v1 |
2011-10-03 | Tri-critical point and suppression of the Shastry-Sutherland phase in Ce$_{2}$Pd$_{2}$Sn by Ni doping | Structural, magnetization and heat capacity measurements were performed on
Ce$_2$(Pd$_{1-x}$Ni$_x$)$_2$Sn ($0 \leq x \leq 0.25$) alloys, covering the full
range of the Mo$_2$FeB$_2$ structure stability. In this system, the two
transitions observed in Ce$_2$Pd$_2$Sn (at $T_N=4.8$\,K and $T_C=2.1$\,K
respectively) conver... | 1110.0426v1 |
2011-10-14 | Formation of Microcrystalline Structure in Large-Scale Ingots of Ti Alloy Ti-6Al-4V during the Complex Loading | A new method of combined loading was developed for manufacturing large -
scale ingot of alpha-beta titanium alloy Ti-6Al-4V with the diameter of the
gauge 120 mm and the length 300 mm. The process includes torsion with
simultaneous tensile deformation, followed by a single compression and drawing
of the ingot in alpha-... | 1110.3122v1 |
2011-10-18 | Higher-order contributions to the Rashba-Bychkov effect with application to Bi/Ag(111) surface alloy | In order to explain the anisotropic Rashba-Bychkov effect observed in several
metallic surface-state systems, we use k.p perturbation theory with a simple
group-theoretical analysis and construct effective Rashba Hamiltonians for
different point groups up to third order in the wavenumber. We perform
relativistic ab ini... | 1110.3953v1 |
2011-11-06 | Chemically-Mediated quantum criticality in NbFe_2 | Laves-phase Nb{1+c}Fe_{2-c} is a rare itinerant intermetallic compound
exhibiting magnetic quantum criticality at c_{cr}=1.5%Nb excess; its origin,
and how alloying mediates it, remains an enigma. For NbFe_2, we show that an
unconventional band critical point (uBCP) above the Fermi level E_F explains
most observations,... | 1111.1399v1 |
2011-11-28 | Evolution of a metastable phase with a magnetic phase coexistence phenomenon and its unusual sensitivity to magnetic field cycling in the alloys Tb5-xLuxSi3 (x <= 0.7) | Recently, we reported an anomalous enhancement of the positive
magnetoresistance beyond a critical magnetic field in Tb5Si3 in the
magnetically ordered state, attributable to 'inverse metamagnetism'. This
results in unusual magnetic hysteresis loops for the pressurized specimens,
which are relevant to the topic of 'ele... | 1111.6368v1 |
2012-01-05 | Search for quantum criticality in a ferromagnetic system UNi1-xCoxSi2 | Polycrystalline samples of the isostructural alloys UNi1-xCoxSi2 (0 <= x <=
1) were studied by means of x-ray powder diffraction, magnetization, electrical
resistivity and specific heat measurements, at temperatures down to 2 K and in
magnetic fields up to 5 T. The experimental data revealed an evolution from
strongly ... | 1201.1075v1 |
2012-01-05 | Nucleation and growth of the γ' (AlAg2) precipitate in Al-Ag(-Cu) alloys | Precipitation of the \gamma' (AlAg2) phase was investigated in Al-Ag(-Cu)
alloys using high resolution transmission electron microscopy and scanning
transmission electron microscopy. Precipitation commenced with segregation of
silver to stacking faults, followed by thickening in steps corresponding to
single unit cell ... | 1201.1325v1 |
2012-01-19 | Impact of microstructure, temperature and strain ratio on energy-based low- cycle fatigue life prediction models for TiAl alloys | In this paper, two fatigue lifetime prediction models are tested on TiAl
intermetallic using results from uniaxial low-cycle fatigue tests. Both
assessments are based on dissipated energy but one of them considers a
hydrostatic pressure correction. This work allows to confirm, on this kind of
material, the linear natur... | 1201.4084v1 |
2012-02-04 | Si3AlP: A new promising material for solar cell absorber | First-principles calculations are performed to study the structural and
optoelectronic properties of the newly synthesized nonisovalent and
lattice-matched (Si2)0.6(AlP)0.4 alloy [T. Watkins et al., J. Am. Chem. Soc.
2011, 133, 16212.] We find that the ordered CC-Si3AlP with a basic unit of one
P atom surrounded by thr... | 1202.0879v1 |
2012-02-06 | Simulation of the shape memory effect in a NiTi nano model system | The shape memory behavior of a NiTi nanoparticle is analyzed by molecular
dynamics simulations. After a detailed description of the equilibrium
structures of the used model potential, the multi variant martensitic ground
state, which depends on the geometry of the particle, is discussed. Tensile
load is applied, changi... | 1202.1078v1 |
2012-02-21 | A first-principles investigation on the effects of magnetism on the Bain transformation of $α$-phase FeNi systems | The effects of magnetism on the Bain transformation of $\alpha$-phase FeNi
systems are investigated by using the full potential linearized augmented plane
wave (FLAPW) method based on the generalized gradient approximation (GGA). We
found that Ni impurity in bcc Fe increases the lattice constant in
ferromagnetic (FM) s... | 1202.4726v1 |
2012-02-21 | Band gap tuning in ferroelectric Bi4Ti3O12 by alloying LaTMO3 (TM = Ti, V, Cr, Mn, Co, Ni, and Al) | We fabricated ferroelectric Bi4Ti3O12 (BiT) single crystalline thin films
site-specifically substituted with LaTMO3 (TM = Al, Ti, V, Cr, Mn, Co, and Ni)
on SrTiO3 substrates by pulsed laser epitaxy. When transition metals are
incorporated into a certain site of the BiT, some of BiT-LaTMO3 showed a
substantially decreas... | 1202.4786v1 |
2012-02-25 | Effects of configurational disorder on adatom mobilities on TiAlN(001) surfaces | We use metastable NaCl-structure Ti0.5Al0.5N alloys to probe effects of
configurational disorder on adatom surface diffusion dynamics which control
phase stability and nanostructural evolution during film growth.
First-principles calculations were employed to obtain potential energy maps of
Ti and Al adsorption on an o... | 1202.5645v1 |
2012-03-03 | Hybrid expansions for local structural relaxations | A model is constructed in which pair potentials are combined with the cluster
expansion method in order to better describe the energetics of structurally
relaxed substitutional alloys. The effect of structural relaxations away from
the ideal crystal positions, and the effect of ordering is described by
interatomic-dist... | 1203.0626v1 |
2012-04-18 | Effect of magnetism on the lattice dynamics in the sigma-phase Fe-Cr alloys | Anomalies in the temperature dependences of the recoil-free factor, f, and
the average center shift, <CS>, measured by 57-Fe Mossbauer Spectroscopy, were
observed for the first time in the archetype of the \sigma-phase alloys system,
Fe-Cr. In both cases the anomaly started at the temperature close to the
magnetic orde... | 1204.4067v1 |
2012-04-23 | The role of phase compatibility in martensite | Shape memory alloys inherit their macroscopic properties from their mesoscale
microstructure originated from the martensitic phase transformation. In a cubic
to orthorhombic transition, a single variant of marten- site can have a
compatible (exact) interface with the austenite for some special lattice
parameters in con... | 1204.5208v1 |
2012-06-11 | Sigma-phase in the Fe-Re alloy system: experimental and theoretical studies | X-ray diffraction (XRD) and M\"ossbauer spectroscopy techniques combined with
theoretical calculations based on the Korringa-Kohn-Rostoker (KKR) electronic
structure calculation method were used to investigate \sigma-phase
Fe_{100-x}Re_{x} alloys (x = 43, 45, 47, 49 and 53). Structural data such as
site occupancies and... | 1206.2377v1 |
2012-07-04 | Silver segregation to θ' (Al2Cu)-Al interfaces in Al-Cu-Ag alloys | \theta' (Al2Cu) precipitates in Al-Cu-Ag alloys were examined using high
angle annular dark field scanning transmission electron microscopy
(HAADF-STEM). The precipitates nucleated on dislocation loops on which
assemblies of {\gamma}' (AlAg2) precipitates were present. These dislocation
loops were enriched in silver pr... | 1207.0897v1 |
2012-07-14 | Magnetoelectric Interactions in Layered Composites of Piezoelectric Quartz and Magnetostrictive Alloys | Mechanical strain mediated magnetoelectric effects are studied in bilayers
and trilayers of piezoelectric quartz and magnetostrictive permendur (P), an
alloy of Fe-Co-V. It is shown that the magneto-electric voltage coefficient
(MEVC), proportional to the ratio of the piezoelectric coupling coefficient to
the permittiv... | 1207.3411v2 |
2012-07-14 | Topological phase transition induced by random substitution | The transition from topologically nontrivial to a trivial state is studied by
first-principles calculations on bulk zinc-blende type
(Hg$_{1-x}$Zn$_x$)(Te$_{1-x}$S$_x$) disordered alloy series. The random
chemical disorder was treated by means of the Coherent Potential Approximation.
We found that although the phase tr... | 1207.3463v1 |
2012-07-26 | Spin-orbit-coupling induced domain-wall resistance in diffusive ferromagnets | We investigate diffusive transport through a number of domain wall (DW)
profiles of the important magnetic alloy Permalloy taking into account
simultaneously noncollinearity, alloy disorder, and spin-orbit coupling fully
quantum mechanically, from first principles. In addition to observing the known
effects of magnetiz... | 1207.6277v2 |
2012-07-30 | Thermoelectric properties of Pr3Rh4Sn13-type Yb3Co4Ge13 and Yb3Co4Sn13 compounds | Crystallographic data and thermoelectric properties (from 240 K up to 380 K)
of Yb3Co4Ge13, Yb3Co4Sn13 compounds and Yb2CeCo4Ge13 and Yb2.3La0.7Co4Ge13
solid solutions are reported. The Seebeck coefficients, electric resistance and
thermal conductivity increase monotonically with increasing temperature from
240 to 380 ... | 1207.6875v2 |
2012-08-30 | Giant Spin Hall Effect Induced by Skew Scattering from Bismuth Impurities inside Thin Film CuBi Alloys | We demonstrate that a giant spin Hall effect (SHE) can be induced by
introducing a small amount of Bi impurities in Cu. Our analysis based on a new
3-dimensional finite element treatment of spin transport shows that the sign of
the SHE induced by the Bi impurities is negative and its spin Hall (SH) angle
amounts to -0.... | 1208.6208v2 |
2012-08-31 | Band engineering in dilute nitride and bismide semiconductor lasers | Highly mismatched semiconductor alloys such as GaNAs and GaBiAs have several
novel electronic properties, including a rapid reduction in energy gap with
increasing x and also, for GaBiAs, a strong increase in spin orbit- splitting
energy with increasing Bi composition. We review here the electronic structure
of such al... | 1208.6441v1 |
2012-10-11 | Optical orientation of nuclei in nitrogen alloys GaAsN at room temperature | The intensity and the giant circular polarization of edge luminescence in a
longitudinal magnetic field have been measured in nitrogen alloys GaAsN under
circularly polarized pumping. It has been found that these dependences are
shifted with respect to zero field by a value Beff. The magnitude of the
internal field Bef... | 1210.3302v1 |
2012-10-19 | Non-collinear magnetic ordering in compressed FePd$_3$ ordered alloy: a first principles study | By means of ab initio calculations based on the density functional theory we
investigated magnetic phase diagram of ordered FePd$_3$ alloy as a function of
external pressure.
Considering several magnetic configurations we concluded that the system
under pressure has a tendency to non-collinear spin alignment. Analysi... | 1210.5478v2 |
2012-10-24 | Magnetic phase diagram of CePt3B1-xSix | We present a study of the main bulk properties (susceptibility,
magnetization, resistivity and specific heat) of CePt_3B_(1-x)Si-x, an alloying
system that crystallizes in a noncentrosymmetric lattice, and derive the
magnetic phase diagram. The materials at the end point of the alloying series
have previously been stud... | 1210.6489v3 |
2012-11-05 | Phase-decomposition-related short-range ordering in a Fe-Cr alloy | A redistribution of Cr atoms related to a phase decomposition (PD) caused by
an isothermal annealing at 415 C in a 15.15 at%Cr Fe-Cr alloy was studied in an
ex-situ way by the conversion electrons M\"ossbauer spectroscopy. Analysis of
the spectra in terms of a two-shell model enabled determination of
probabilities of 1... | 1211.0857v2 |
2012-11-14 | Direct ab-initio molecular dynamic study of ultrafast phase change in Ag-alloyed Ge$_{2}$Sb$_{2}$Te$_{5}$ | We employed ab-initio molecular dynamics to directly simulate the effects of
Ag alloying ($\sim5%$ Ag concentration) on the phase change properties of
Ge$_{2}$Sb$_{2}$Te$_{5}$. The short range order is preserved, whereas a slight
improvement in the chemical order is observed. A slight decrease in the
fraction of tetrah... | 1211.3383v1 |
2012-12-03 | Measurement of the thermal expansion coefficient of an Al-Mg alloy at ultra-low temperatures | We describe a result coming from an experiment based on an Al-Mg alloy (~ 5%
Mg) suspended bar hit by an electron beam and operated above and below the
termperature of transition from superconducting to normal state of the
material. The amplitude of the bar first longitudinal mode of oscillation,
excited by the beam in... | 1212.0368v2 |
2013-01-23 | Comparative study of tight-binding and ab initio electronic structure calculations focused on magnetic anisotropy in ordered CoPt alloy | An empirical multiorbital (spd) tight binding (TB) model including magnetism
and spin-orbit coupling is applied to calculations of magnetic anisotropy
energy (MAE) in CoPt L1_0 structure. A realistic Slater-Koster parametrisation
for single-element transition metals is adapted for the ordered binary alloy.
Spin magneti... | 1301.5369v1 |
2013-01-28 | Structural and magnetic properties of Pr-alloyed MnBi nanostructures | The structural and magnetic properties of Pr-alloyed MnBi (short MnBi-Pr)
nanostructures with a range of Pr concentrations have been investigated. The
nanostructures include thin films having Pr concentrations 0, 2, 3, 5 and 9
atomic percent and melt-spun ribbons having Pr concentrations 0, 2, 4 and 6
percent respectiv... | 1301.6782v1 |
2013-02-13 | Magnetism and Verwey transition in magnetite nanoparticles in thin polymer film | Magnetic and structural properties of magnetite nanoparticles stabilized in
polyvinyl-alcohol thin films are investigated by using X-ray diffraction (XRD),
transmission electron microscopy (TEM), electron paramagnetic resonance (EPR)
and static magnetometry techniques. The nanoparticles have well-defined
crystallinity,... | 1302.3090v1 |
2013-02-15 | Continuous melting and thermal-history-dependent freezing in the confined Na-K eutectic alloy | 23Na NMR studies of the Na-K eutectic alloy embedded into porous glass with 7
nm pores showed that melting of Na2K confined nanoparticles is a continuous
process with smooth changes in the Knight shift of a narrow resonance line and
nuclear spin relaxation between those in the crystalline and liquid states. The
interme... | 1302.3871v1 |
2013-02-28 | The high strain-rate behaviour of three molecular weights of polyethylene examined with a magnesium alloy split-Hopkinson pressure bar | A traditional split-Hopkinson pressure bar system has been modified by the
addition of ZK60A magnesium alloy pressure bars in order to increase the
resolution of data when examining specimens of low-density, high-density and
ultra-high molecular weight polyethylene. It was found that the low density of
the ZK60A allowe... | 1302.7225v1 |
2013-03-25 | Ab initio studies of the tunneling magneto-Seebeck effect: influence of magnetic material | We found a strong influence of the composition of the magnetic material on
the temperature dependence of the tunneling magneto-Seebeck effect in $MgO$
based tunnel junctions. We use \textit{ab initio} alloy theory to consider
different $Fe_xCo_{1-x}$ alloys for the ferromagnetic layer. Even a small
change of the compos... | 1303.6330v1 |
2013-04-16 | Ab initio study of the alloying effect of transition metals on structure, stability and ductility of CrN | The alloying effect on the lattice parameters, isostructural mixing
enthalpies and ductility of the ternary nitride systems Cr1-xTMxN (TM=Sc, Y;
Ti, Zr, Hf; V, Nb, Ta; Mo, W) in the cubic B1 structure has been investigated
using first-principles calculations. Maximum mixing enthalpy due to large
lattice mismatch in Cr1... | 1304.4584v1 |
2013-04-24 | Low temperature ferromagnetism, surface paramagnetism and exchange bias effect in nano-grained alpha-Fe1.4Ga0.6O3 oxide | The compound alpha-Fe1.4Ga0.6O3 has been prepared by mechanical alloying of
alpha-Fe2O3 and Ga2O3 and subsequent heating of the mechanical alloyed samples
in vacuum condition. Magnetic ordering of alpha-Fe2O3 has been modified by
substitution of non-magnetic Ga atoms. The ferromagnetism in alpha-Fe1.4Ga0.6O3
is more so... | 1304.6512v1 |
2013-04-29 | Hybrid Monte Carlo/molecular dynamics simulation of a refractory metal high entropy alloy | The high entropy alloy containing refractory metals Mo-Nb-Ta-W has a body
centered cubic structure, which is not surprising given the complete mutual
solubility in BCC solid solutions of all pairs of the constituent elements.
However, first principles total energy calculations for the binaries reveal a
set of distinct ... | 1304.7800v2 |
2013-05-10 | Implementation of non-equilibrium vertex corrections in KKR: transport through disordered layers | The theoretical description of modern nanoelectronic devices requires a
quantum mechanical treatment and often involves disorder, e.g. form alloys.
Therefore, the ab initio theory of transport using non-equilibrium Green's
functions is extended to the case of disorder described by the coherent
potential approximation. ... | 1305.2399v1 |
2013-05-23 | Electronic origin of the orthorhombic Cmca structure in compressed elements and binary alloys | Formation of the complex structure with 16 atoms in the orthorhombic cell,
space group Cmca (Pearson symbol oC16) was experimentally found under high
pressure in the alkali elements (K, Rb, Cs) and polyvalent elements of groups
IV (Si, Ge) and V (Bi). Intermetallic phases with this structure form under
pressure in bina... | 1305.5341v1 |
2013-05-24 | From magnetic to Fermi Liquid behavior in CeCo{1-x}Fe{x}Si alloys | Structural, magnetic and thermal measurements performed on CeCo{1-x}Fe{x}Si
alloys are reported. Three regions can be recognized: i) Co-rich (x < 0.20)
with a decreasing long range antiferromagnetic order which vanishes at finite
temperature, ii) an intermediate region (0.20 < x < 0.30) showing a broad
magnetic anomaly... | 1305.5717v1 |
2013-06-03 | A first-principles linear response description of the spin Nernst effect | A first-principles description of the spin Nernst effect, denoting the
occurrence of a transverse spin current due to a temperature gradient, is
presented. The approach, based on an extension to the Kubo-Streda equation for
spin transport, supplies in particular the formal basis for investigations of
diluted as well as... | 1306.0621v2 |
2013-06-27 | Influence of the magnetic material on tunneling magnetoresistance and spin-transfer torque in tunnel junctions: Ab initio studies | The dependence of tunneling magnetoresistance and spin-transfer torque in
FeCo/MgO/FeCo tunnel junctions on the Co concentration and the bias voltage are
investigated ab initio. We find that the tunneling magnetoresistance decreases
with the Co concentration in contradiction with previous calculations but in
agreement ... | 1306.6447v1 |
2013-07-05 | Existence of solutions for a mathematical model related to solid-solid phase transitions in shape memory alloys | We consider a strongly nonlinear PDE system describing solid-solid phase
transitions in shape memory alloys. The system accounts for the evolution of an
order parameter (related to different symmetries of the crystal lattice in the
phase configurations), of the stress (and the displacement), and of the
absolute tempera... | 1307.1572v1 |
2013-07-23 | Mechanism of uniaxial magnetocrystalline anisotropy in transition metal alloys | Magnetocrystalline anisotropy in transition metal alloys (FePt, CoPt, FePd,
MnAl, MnGa, and FeCo) was studied using first-principles calculations to
elucidate its specific mechanism. The tight-binding linear muffin-tin orbital
method in the local spin-density approximation was employed to calculate the
electronic struc... | 1307.5961v2 |
2013-07-24 | Nature of the glassy magnetic state in Cu$_{2.84}$Mn$_{0.44}$Al$_{0.72}$ shape memory alloy | The magnetic ground state of the ferromagnetic shape memory alloy of nominal
composition Cu$_{2.84}$Mn$_{0.44}$Al$_{0.72}$ was investigated. The sample
shows reentry of a glassy magnetic phase below the martensitic transition
temperature, which is found to have complex character with two distinct
anomalies in the tempe... | 1307.6310v1 |
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