publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2016-03-16 | Robust Structural Identification via Polyhedral Template Matching | Successful scientific applications of large-scale molecular dynamics often
rely on automated methods for identifying the local crystalline structure of
condensed phases. Many existing methods for structural identification, such as
Common Neighbour Analysis, rely on interatomic distances (or thresholds
thereof) to class... | 1603.05143v2 |
2016-03-25 | ThFeAsN in Relation to Other Iron-Based Superconductors | The electronic structure, magnetic and structural properties of the
superconductor ThFeAsN are discussed in relation to the Fe-pnictide and
Fe-chalcogenide superconductors based on results of first principles
calculations. The electronic structure is that of a high density of states
semimetal. It shows approximately ne... | 1603.07917v1 |
2016-03-30 | The identification of the dominant donors in low temperature grown InPBi materials | Combined with magnetotransport measurements and first-principles
calculations, we systematically investigated the effects of Bi incorporation on
the electrical properties of the undoped InP1-xBix epilayers with 0<x<2.41%.
The Hall-bar measurements reveal a dominant n-type conductivity of the InPBi
samples. The electron... | 1603.09015v1 |
2016-12-14 | Modeling of cyclic creep in the finite strain range using a nested multiplicative split | A new phenomenological model of cyclic creep is proposed which is suitable
for applications involving finite creep deformations of the material. The model
accounts for the the effect of the transient increase of the creep strain rate
upon the load reversal. In order to extend the applicability range of the
model, the c... | 1612.04620v1 |
2016-12-21 | Quantum Griffiths phase inside the ferromagnetic phase of Ni$_{1-x}$V$_x$ | We study by means of bulk and local probes the d-metal alloy Ni$_{1-x}$V$_x$
close to the quantum critical concentration, $x_c \approx 11.6\%$, where the
ferromagnetic transition temperature vanishes. The magnetization-field curve in
the ferromagnetic phase takes an anomalous power-law form with a nonuniversal
exponent... | 1612.07207v2 |
2016-12-23 | Density functional theory study of vacancy induced magnetism in Li$_{3}$N | The effect of lithium vacancies in the hexagonal structure of
$\alpha-$Li$_3$N, is studied within the framework of density functional theory.
Vacancies ($\square$) substituting for lithium in
$\alpha-$Li$_2$(Li$_{1-x}\square_x$)N are treated within the coherent potential
approximation as alloy components. According to ... | 1612.07981v2 |
2017-02-02 | Low-Symmetry Two-Dimensional Materials for Electronic and Photonic Applications | In this review article, we discuss the synthesis, properties, and novel
device applications of low-symmetry 2D materials, including black phosphorus
and its arsenic alloys, compounds with black-phosphorus like structure such as
the monochalcogenides of group IV elements like Ge and Sn, as well as the class
of low-symme... | 1702.00573v1 |
2017-02-03 | Free energy calculation of mechanically unstable but dynamically stabilized bcc titanium | The phase diagram of numerous materials of technological importance features
high-symmetry high-temperature phases that exhibit phonon instabilities.
Leading examples include shape-memory alloys, as well as ferroelectric,
refractory, and structural materials. The thermodynamics of these phases have
proven challenging t... | 1702.00911v1 |
2017-02-05 | Atomic Order in Non-Equilibrium Silicon-Germanium-Tin Semiconductors | The precise knowledge of the atomic order in monocrystalline alloys is
fundamental to understand and predict their physical properties. With this
perspective, we utilized laser-assisted atom probe tomography to investigate
the three-dimensional distribution of atoms in non-equilibrium epitaxial
Sn-rich group IV SiGeSn ... | 1702.01366v1 |
2017-02-17 | Magnetic anisotropy in Permalloy: hidden quantum mechanical features | By means of relativistic, first principles calculations, we investigate the
microscopic origin of the vanishingly low magnetic anisotropy of Permalloy,
here proposed to be intrinsically related to the local symmetries of the alloy.
It is shown that the local magnetic anisotropy of individual atoms in Permalloy
can be s... | 1702.05414v1 |
2017-02-22 | Probing the role of carbon solubility in transition metal catalyzing Single-Walled Carbon Nanotubes growth | Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display
different carbon solubilities and chemical reactivities. In order to
specifically assess the role of carbon solubility, we take advantage of the
physical transparency of a tight binding model established for Ni-C alloys, to
develop metal carb... | 1702.06742v1 |
2017-02-23 | Spin-Orbit Coupling of Conduction Electrons in Magnetization Switching | Strong magnetic field pulses associated with a relativistic electron bunch
can imprint switching patterns in magnetic thin films that have uniaxial
in-plane anisotropy. In experiments with Fe and FeCo alloy films the pattern
shape reveals an additional torque acting on magnetization during the short (in
the 100fs time ... | 1702.07153v1 |
2017-06-06 | The Vapor-Solid-Solid Growth of Ge Nanowires on Ge (110) by Molecular Beam Epitaxy | We demonstrate Au-assisted vapor-solid-solid (VSS) growth of Ge nanowires
(NWs) by molecular beam epitaxy (MBE) at 220 {\deg}C, which is compatible with
the temperature window for Si-based integrated circuit. Low temperature grown
Ge NWs hold a smaller size, similar uniformity and better fit with Au tips in
diameter, i... | 1706.01605v1 |
2017-06-12 | Blue-to-green single photons from InGaN/GaN dot-in-a-wire nanowire ordered arrays | Single-photon emitters (SPEs) are at the basis of many applications for
quantum information management. Semiconductor-based SPEs are best suited for
practical implementations because of high design flexibility, scalability and
integration potential in practical devices. Single-photon emission from ordered
arrays of InG... | 1706.03601v1 |
2017-06-15 | First order magneto-structural transition and magnetocaloric effect in MnNiGe$_{0.9}$Ga$_{0.1}$ | The first order magneto-structural transition ($T_t\simeq95$ K) and
magnetocaloric effect in MnNiGe$_{0.9}$Ga$_{0.1}$ are studied via powder x-ray
diffraction and magnetization measurements. Temperature dependent x-ray
diffraction measurements reveal that the magneto-structural transition remains
incomplete down to 23 ... | 1706.04740v1 |
2017-06-17 | Optical readout of hydrogen storage in films of Au and Pd | For hydrogen sensor and storage applications, films of Au and Pd were (i)
co-sputtered at different rates or (ii) deposited in a sequential
layer-by-layer fashion on a cover glass. Peculiarities of hydrogen uptake and
release were optically monitored using 1.3 micrometers wavelength light.
Increase of optical transmiss... | 1706.05517v1 |
2017-06-19 | Spin Hall effect from hybridized 3$d$-4$p$ orbitals | Electrical manipulation of magnetization by spin-orbit torque (SOT) has shown
promise for realizing reliable magnetic memories and oscillators. To date, the
generation of transverse spin current and SOT, whether it is of spin Hall
effect (SHE), Rashba-Edelstein effect or spin-momentum locking origin, relies
primarily o... | 1706.05846v1 |
2017-06-21 | Compact arrangement for femtosecond laser induced generation of broadband hard x-ray pulses | We present a simple apparatus for femtosecond laser induced generation of
X-rays. The apparatus consists of a vacuum chamber containing an off-axis
parabolic focusing mirror, a reel system, a debris protection setup, a quartz
window for the incoming laser beam, and an X-ray window. Before entering the
vacuum chamber, t... | 1706.06819v1 |
2017-06-23 | Nearly Blinking-Free, High-Purity Single-Photon Emission by Colloidal InP/ZnSe Quantum Dots | Colloidal core/shell InP/ZnSe quantum dots (QDs), recently produced using an
improved synthesis method, have a great potential in life-science applications
as well as in integrated quantum photonics and quantum information processing
as single-photon emitters. Single-particle spectroscopy of 10-nm QDs with
3.2-nm cores... | 1706.07609v1 |
2017-06-28 | Multiple scattering theory for heterogeneous elastic continua with strong property fluctuation: theoretical fundamentals and applications | In this work, the author developed a multiple scattering model for
heterogeneous elastic continua with strong property fluctuation and obtained
the exact solution to the dispersion equation derived from the Dyson equation
under the first-order smoothing approximation. The model establishes accurate
quantitative relatio... | 1706.09137v1 |
2017-06-28 | Super-Hydrophobic Stearic Acid Layer Formed on Anodized High Purified Magnesium for Improving Corrosion Resistance of Biodegradable Implants | Magnesium and its alloys are ideal candidates for biodegradable implants.
However, they can dissolve too rapidly in the human body for most applications.
In this research, high purified magnesium (HP-Mg) was coated with stearic acid
in order to slow the corrosion rate of magnesium in simulated body fluid at
37{\deg}C. ... | 1706.09508v1 |
2017-10-02 | The multi-purpose three-axis spectrometer (TAS) MIRA at FRM II | The cold-neutron three-axis spectrometer MIRA is an instrument optimized for
low-energy excitations. Its excellent intrinsic $Q$-resolution makes it ideal
for studying incommensurate magnetic systems (elastic and inelastic). MIRA is
at the forefront of using advanced neutron focusing optics such as elliptic
guides, whi... | 1710.00589v1 |
2017-09-08 | Understanding deformation with high angular resolution electron backscatter diffraction (HR-EBSD) | High angular resolution electron backscatter diffraction (HR-EBSD) affords an
increase in angular resolution, as compared to 'conventional' Hough transform
based EBSD, of two orders of magnitude, enabling measurements of relative
misorientations of 1E-4 rads (~ 0.006 {\deg}) and changes in (deviatoric)
lattice strain w... | 1710.00728v1 |
2017-10-02 | Wegner estimate and disorder dependence for alloy-type Hamiltonians with bounded magnetic potential | We consider non-ergodic magnetic random Sch\"odinger operators with a bounded
magnetic vector potential. We prove an optimal Wegner estimate valid at all
energies. The proof is an adaptation of the arguments from [Kle13], combined
with a recent quantitative unique continuation estimate for eigenfunctions of
elliptic op... | 1710.00899v3 |
2017-10-02 | Band Topology and Dichroic Signature of Bismuth | Bismuth has been the key element in the discovery and development of
topological insulator materials. Previous theoretical studies indicated that Bi
is topologically trivial and it can transform into the topological phase by
alloying with Sb. However, recent high-resolution angle-resolved photoemission
spectroscopy (AR... | 1710.00908v1 |
2017-10-05 | First-principles and model simulation of all-optical spin reversal | All-optical spin switching is a potential trailblazer for information storage
and communication at an unprecedented fast rate and free of magnetic fields.
However, the current wisdom is largely based on semiempirical models of
effective magnetic fields and heat pulses, so it is difficult to provide
high-speed design pr... | 1710.01834v1 |
2017-10-05 | Multi-scale Modeling of Plasticity Nearby Precipitates in Nanostructured Materials | Precipitation strengthening is one of the most effective methods to design
alloys with the desired combination of strength and ductility. The main
mechanism of strengthening is generally known to be the interaction between
dislocations and precipitates. When a dislocation encounters a precipitate, it
bends and therefor... | 1710.02075v3 |
2017-10-10 | Predictive design and experimental realization of InAs/GaAs superlattices with tailored thermal conductivity | We demonstrate an ab-initio predictive approach to computing the thermal
conductivity ($\kappa$) of InAs/GaAs superlattices (SLs) of varying period,
thickness, and composition. Our new experimental results illustrate how this
method can yield good agreement with experiment when realistic composition
profiles are used a... | 1710.03449v1 |
2017-10-16 | Carrier and Spin Coherent Dynamics in Strained Germanium-Tin Semiconductor on Silicon | Germanium-Tin is emerging as a material exhibiting excellent photonic
properties. Here we demonstrate optical initialization and readout of spins in
this intriguing group IV semiconductor alloy and report on spin quantum beats
between Zeeman-split levels under an external magnetic field. Our optical
experiments reveal ... | 1710.05792v1 |
2017-10-17 | Unified mechanism of the surface Fermi level pinning in III-As nanowires | Fermi level pinning at the oxidized (110) surfaces of III-As nanowires (GaAs,
InAs, InGaAs, AlGaAs) is studied. Using scanning gradient Kelvin probe
microscopy, we show that the Fermi level at oxidized cleavage surfaces of
ternary Al$_{x}$Ga$_{1-x}$As (0$\le$x$\le$0.45) and Ga$_{x}$In$_{1-x}$As
(0$\le$x$\le$1) alloys i... | 1710.06227v2 |
2017-10-24 | Thermal management and non-reciprocal control of phonon flow via optomechanics | Engineering phonon transport in physical systems is a subject of interest in
the study of materials and plays a crucial role in controlling energy and heat
transfer. Of particular interest are non-reciprocal phononic systems, which in
direct analogy to electric diodes, provide a directional flow of energy. Here,
we pro... | 1710.08967v2 |
2017-10-27 | Nanolayered diffusion couple technique for the reconsidering of the miscibility gap | Mysteries in binary phase diagram are still in existence, e.g., the case in
Cu-Ni which is mutual miscible system, the question addressed that "Indirect
experimental evidence indicates the presence of a miscibility gap in the fcc
phase at a temperature somewhere between 450 and 923 K". Recently, author's
group suggests... | 1710.10125v1 |
2017-10-31 | Formation of Nb-rich droplets in laser deposited Ni-matrix microstructures | Ni-rich $\gamma$ cells and Nb-rich eutectic droplets that form during laser
power bed fusion solidification of Ni-Nb alloys are studied using experiments
and simulations. Finite element simulations estimate the cooling rates in the
melt pool and phase-field simulations predict the resulting cellular
microstructures. Th... | 1710.11525v3 |
2018-03-31 | Ultra-low-field magneto-elastocaloric cooling in a multiferroic composite device | The advent of caloric materials for magnetocaloric, elastocaloric, and
electrocaloric cooling is changing the landscape of solid state cooling
technologies with potentials for high-efficiency and environmentally-friendly
residential and commercial cooling as well as heating applications. Given that
caloric materials ar... | 1804.00196v1 |
2018-04-10 | Microwave cavity tuned with liquid metal and its application to Electron Paramagnetic Resonance | This note presents a method to tune the resonant frequency $f_{0}$ of a
rectangular microwave cavity. This is achieved using a liquid metal, GaInSn, to
decrease the volume of the cavity. It is possible to shift $f_{0}$ by filling
the cavity with this alloy, in order to reduce the relative distance between
the internal ... | 1804.03443v1 |
2018-03-16 | Reliability Analysis of Polymeric Materials | Polymeric materials are widely used in many applications and are especially
useful when combined with other polymers to make polymer composites. The
appealing features of these materials come from their having comparable levels
of strength and endurance to what one would find in metal alloys while being
more lightweigh... | 1804.04586v1 |
2018-04-16 | Interpretation of some Yb-based valence-fluctuating crystals as approximants to a dodecagonal quasicrystal | The hexagonal ZrNiAl-type (space group: P-62m) and the tetragonal
Mo2FeB2-type (space group: P4/mbm) structures, which are frequently formed in
the same Yb-based alloys and exhibit physical properties related to
valence-fluctuation, can be regarded as approximants of a hypothetical
dodecagonal quasicrystal. Using Pd-Sn... | 1804.05505v1 |
2018-04-16 | Short-time dynamics in $s+is$-wave superconductor with incipient bands | Motivated by the recent observation of the time-reversal symmetry broken
state in K-doped BaFe$_2$As$_2$ superconducting alloys, we theoretically study
the collective modes and the short time dynamics of the superconducting state
with $s+is$-wave order parameter using an effective four-band model with two
hole and two ... | 1804.05662v1 |
2018-04-19 | On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation | We have investigated through fully atomistic reactive molecular dynamics and
DFT simulations, the mechanical properties and fracture dynamics of novamene, a
new 3D carbon allotrope structure recently proposed. Our results showed that
novamene is an anisotropic structure with relation to tensile deformation.
Although no... | 1804.07215v1 |
2018-04-20 | Polaronic transport and thermoelectricity in Fe$_{1-x}$Co$_x$Sb$_2$S$_4$ ($x$ = 0, 0.1, and 0.2) | We report a study of Co-doped berthierite Fe$_{1-x}$Co$_x$Sb$_2$S$_4$ ($x$ =
0, 0.1, and 0.2). The alloy series of Fe$_{1-x}$Co$_x$Sb$_2$S$_4$ crystallize
in an orthorhombic structure with the Pnma space group, similar to FeSb$_2$,
and show semiconducting behavior. The large discrepancy between activation
energy for co... | 1804.07776v1 |
2018-04-23 | Phase Field Modeling of Galvanic Corrosion | A phase field (PF) based electrochemical model is presented for simulation of
galvanic corrosion. Distributions of electrolyte potential and current density
on anode and cathode surfaces are obtained by coupling the phase field variable
with electrochemistry. Evolution of surface recession is naturally obtained by
solv... | 1804.08517v1 |
2018-04-25 | Topological semimetals in the SnTe material class: Nodal lines and Weyl points | We theoretically show that IV-VI semiconducting compounds with
low-temperature rhombohedral crystal structure represent a new potential
platform for topological semimetals. By means of minimal
$\mathbf{k}\cdot\mathbf{p}$ models we find that the two-step structural
symmetry reduction of the high-temperature rocksalt cry... | 1804.09574v3 |
2019-03-01 | Strain control of the Neel vector in Mn-based antiferromagnets | Control of the Neel vector in antiferromagnetic materials is one of the
challenges preventing their use as active device components. Several methods
have been investigated such as exchange bias, electric current, and spin
injection, but little is known about strain-mediated anisotropy. This study of
the antiferromagnet... | 1903.00413v1 |
2019-03-06 | Coercivity enhancement of selective laser sintered NdFeB magnets by grain boundary infiltration | Laser powder bed fusion is a well-established additive manufacturing method
that can be used for the production of net-shaped Nd-Fe-B sintered magnets.
However, low coercivity has been one of the drawbacks in the laser powder bed
fusion processed Nd-Fe-B magnets. In this work, we have demonstrated that the
grain bounda... | 1903.02233v1 |
2019-03-07 | Fe-Sn nanocrystalline films for flexible magnetic sensors with high thermal stability | The interplay of magnetism and spin-orbit coupling on an Fe kagome lattice in
Fe3Sn2 crystal produces a unique band structure leading to an order of
magnitude larger anomalous Hall effect than in conventional ferromagnetic
metals. In this work, we demonstrate that Fe-Sn nanocrystalline films also
exhibit a large anomal... | 1903.02689v1 |
2019-03-08 | MFM and FORC+ study of switching mechanism in Co$_{25}$Pd$_{75}$ films | Recent research on CoPd alloys with perpendicular magnetic anisotropy (PMA)
has suggested that they might be useful as the pinning layer in CoFeB/MgO-based
perpendicular magnetic tunnel junctions (pMTJ's) for various spintronic
applications such as spin-torque transfer random access memory (STT-RAM). We
have previously... | 1903.03568v2 |
2019-03-11 | High Field Anomalies of Equilibrium and Ultrafast Magnetism in Rare-Earth-Transition Metal Ferrimagnets | Magneto-optical spectroscopy in fields up to 30 Tesla reveals anomalies in
the equilibrium and ultrafast magnetic properties of the ferrimagnetic
rare-earth-transition metal alloy TbFeCo. In particular, in the vicinity of the
magnetization compensation temperature, each of the magnetizations of the
antiferromagneticall... | 1903.04293v1 |
2019-03-14 | Maximum Supercooling Studies in Ti39.5Zr39.5Ni21 and Zr80Pt20 - Connecting Liquid Structure and the Nucleation Barrier | Almost three quarters of a century ago, Charles Frank proposed that the deep
supercooling observed in metallic liquids is due to icosahedral short-range
order (ISRO), which is incompatible with the long-range order of crystal
phases. Some evidence in support of this hypothesis has been published
previously. However, th... | 1903.06072v1 |
2019-03-22 | Al$_{5+α}$Si$_{5+δ}$N$_{12}$, a new Nitride compound | We report on the synthesis of new nitride-based compound by using annealing
of AlN heteroepitaxial layers under a Si-atmosphere at temperatures between
1350$^\circ$C and 1550$^\circ$C. The structure and stoichiometry of this
compound are investigated by high-resolution scanning transmission electron
microscopy (HRSTEM)... | 1903.09400v1 |
2019-03-26 | Axial GaAs/Ga(As,Bi) Nanowire Heterostructures | Bi-containing III-V semiconductors constitute an exciting class of metastable
compounds with wide-ranging potential optoelectronic and electronic
applications. However, the growth of III-V-Bi alloys requires group-III-rich
growth conditions, which pose severe challenges for planar growth. In this
work, we exploit the n... | 1903.11039v2 |
2019-03-27 | Traveling Waves Induced by Sweeping Flows on Solidification Interfaces | Solidification of alloys in a thermal gradient usually involves the
generation of flows by thermal or thermosolutal convection. We experimentally
study their effects on the dynamics of a solidification interface by inducing a
controlled sweeping flow in a directional solidification device. Flow is
induced in the sample... | 1903.11333v1 |
2019-03-27 | The effect of the electric field on the nucleation of the nanometer periodic structure of adatoms in GaAs semiconductor under the action of laser irradiation | In the paper, the effect of the electric field on the conditions of formation
and on the period of the surface superlattice of adatoms in $n$-GaAs
semiconductor is investigated. It is established that in GaAs semiconductor, an
increase in the electric field strength, depending on the direction, leads to
an increase or ... | 1903.11601v1 |
2019-05-02 | Anomalous spin Hall angle of a metallic ferromagnet determined by a multiterminal spin injection/detection device | We report on the determination of the anomalous spin Hall angle in the
ferromagnetic metal alloy cobalt-iron (Co$_{25}$Fe$_{75}$, CoFe). This is
accomplished by measuring the spin injection/detection efficiency in a
multiterminal device with nanowires of platinum (Pt) and CoFe deposited onto
the magnetic insulator yttr... | 1905.00663v1 |
2019-05-02 | Aging and rejuvenation during elastostatic loading of amorphous alloys | Using molecular dynamics simulations, we investigate the effect of uniaxial
elastostatic compression on the potential energy, structural relaxation, and
mechanical properties of binary glasses. We consider the three-dimensional
Kob-Andersen binary mixture, which was initially cooled from the liquid state
to the glass p... | 1905.00761v1 |
2019-05-03 | Phase transitions in titanium with an analytic bond-order potential | Titanium is the base material for a number of technologically important
alloys for energy conversion and structural applications. Atomic-scale studies
of Ti-based metals employing first-principles methods, such as density
functional theory, are limited to ensembles of a few hundred atoms. To perform
large-scale and/or ... | 1905.01197v1 |
2019-05-04 | Tuning the Hysteresis of a Metal-Insulator Transition via Lattice Compatibility | Structural phase transitions serve as the basis for many functional
applications including shape memory alloys (SMAs), switches based on
metal-insulator transitions (MITs), etc. In such materials, lattice
incompatibility between phases often results in a thermal hysteresis, which is
intimately tied to degradation of re... | 1905.01398v1 |
2019-05-09 | Driving upside-down in a circular track | In this article, we point out an interesting solution for the dynamics of a
racecar in a banked circular track with banking angle well over 90o. We call
this track configuration an Inverted Track, at which a racecar can drive
partially upside-down. We show an experimental setup where we made a toy car to
circulate upsi... | 1905.03825v1 |
2019-05-10 | Solute drag and dynamic phase transformations in moving grain boundaries | A discrete model and the regular solution approximation are applied to
describe the effect of grain boundary motion on grain boundary phase
transformations in a binary alloy. The model predicts all thermodynamic
properties of the grain boundary and the solute drag force, and permits a broad
exploration of the parameter... | 1905.04126v1 |
2019-05-10 | Exploration of Gibbs-Laguerre tessellations for three-dimensional stochastic modeling | Random tessellations are well suited for probabilistic modeling of
three-dimensional (3D) grain microstructures of polycrystalline materials. The
present paper is focused on so-called Gibbs-Laguerre tessellations, in which
the generators of the Laguerre tessellation form a Gibbs point process. The
goal is to construct ... | 1905.04252v2 |
2019-05-14 | Tuning topology in thin films of topological insulators by strain gradients | We theoretically show that the coupling of inhomogeneous strains to the Dirac
fermions of three-dimensional topological insulators (3DTI) in thin film
geometries results in the occurrence of phase transitions between topologically
distinct insulating phases. By means of minimal k dot p models for strong 3DTI
in the Bi ... | 1905.06189v1 |
2019-05-17 | Diffusion in binary mixtures: an analysis of the dependence on the thermodynamic factor | We study the diffusion process in binary mixtures using transition
probabilities that depend on a mean-field potential. This approach reproduces
the Darken equation, a relationship between the intrinsic and the tracer
diffusion coefficients, $D_A$ and $D_A^*$, through the thermodynamic factor
$\Phi$ (a function of the ... | 1905.07249v1 |
2019-05-17 | Superconductivity in the $η$-carbide-type oxides Zr4Rh2Ox | We report on the synthesis and the superconductivity of Zr$_4$Rh$_2$O$_{x}$
($x$ = 0.4, 0.5, 0.6, 0.7, 1.0). These compounds crystallize in the
$\eta$-carbide structure, which is a filled version of the complex
intermetallic Ti$_2$Ni structure. We find that in the system
Zr$_4$Rh$_2$O$_{x}$, already a small amount ($x$... | 1905.07402v1 |
2019-05-23 | Near-infrared optical properties and proposed phase-change usefulness of transition metal disulfides | The development of photonic integrated circuits would benefit from a wider
selection of materials that can strongly-control near-infrared (NIR) light.
Transition metal dichalcogenides (TMDs) have been explored extensively for
visible spectrum opto-electronics, but the NIR properties of these layered
materials have been... | 1905.09740v1 |
2019-05-27 | Nanoscale spatially resolved mapping of uranium enrichment in actinide-bearing materials | Spatially resolved analysis of uranium isotopes in small volumes of
actinide-bearing materials is critical for a variety of technical disciplines,
including earth and planetary sciences, environmental monitoring,
bioremediation, and the nuclear fuel cycle. However, achieving sub-nanometer
scale spatial resolution for s... | 1905.10932v1 |
2019-05-27 | Microstructural Inelastic Fingerprints And Data-Rich Predictions of Plasticity and Damage in Solids | Inelastic mechanical responses in solids, such as plasticity, damage and
crack initiation, are typically modeled in constitutive ways that display
microstructural and loading dependence. Nevertheless, {linear} elasticity at
infinitesimal deformations is used for microstructural properties. We
demonstrate a framework th... | 1905.11289v3 |
2019-05-29 | Convex Integration Solutions for the Geometrically Non-linear Two-Well Problem with Higher Sobolev Regularity | In this article we discuss higher Sobolev regularity of convex integration
solutions for the geometrically non-linear two-well problem. More precisely, we
construct solutions to the differential inclusion $\nabla u\in K$ subject to
suitable affine boundary conditions for $ u$ with $$ K:=
SO(2)\left[\begin{array}{ ccc }... | 1905.12521v1 |
2019-05-29 | Strain engineering in Ge/GeSn core/shell nanowires | Strain engineering in Sn-rich group IV semiconductors is a key enabling
factor to exploit the direct band gap at mid-infrared wavelengths. Here, we
investigate the effect of strain on the growth of GeSn alloys in a Ge/GeSn
core/shell nanowire geometry. Incorporation of Sn content in the 10-20 at.%
range is achieved wit... | 1905.12671v1 |
2019-05-31 | Investigation of the electroplastic effect using nanoindentation | A promising approach to deform metallic-intermetallic composite materials is
the application of electric current pulses during the deformation process to
achieve a lower yield strength and enhanced elongation to fracture. This is
known as the electroplastic effect. We developed a novel setup to study the
electroplastic... | 1905.13518v1 |
2019-08-03 | A Critical Review on the Electromigration Effect, the Electroplastic Effect, and Perspectives on the Effects of Electric Current Upon Alloy Phase Stability | The electronic interconnections in the state-of-the-art integrated circuit
manufacturing have been scaled down to the micron or sub-micron scale. This
results in a dramatic increase in the current density passing through
interconnections, which means that the electromigration (EM) effect plays a
significant role in the... | 1908.01170v1 |
2019-08-16 | Non-Trivial Topological Phase in the Sn_{1-x}In_xTe Superconductor | Whereas SnTe is a inverted band gap topological crystalline insulator, the
topological phase of the alloy Sn_{1-x}In_xTe, a topological superconductor
candidate, has not been clearly studied so far. Our calculations show that the
Sn_{1-x}In_xTe band gap reduces by increasing the In content, becoming a metal
for x>0.1. ... | 1908.05967v1 |
2019-08-25 | New 3D and 2D Octacarbon C8 and isoelectronic B4N4 having peculiar mechanic and magnetic properties. First-principles identifications | Cohesive energies, energy-volume equations of states EOS, electron
localization ELF maps, elastic constants, and band structures are reported for
original octacarbon C8 three dimensional 3D and two-dimensional 2D chemical
systems based on density functional theory calculations. Specifically,
tetragonal C8 is identified... | 1908.09265v1 |
2019-08-26 | New thermodynamic constraints on internal, thermal and magnetic states of terrestrial-like Super-Earths | Ascertaining rocky exoplanets dynamic evolution requires better understanding
of key internal thermophysical processes that shaped their geological surfaces,
heat fluxes, volatiles and atmospheric content. New high-pressure experiments
on iron and silicates compressible, melting and transport properties are
providing n... | 1908.09871v1 |
2019-08-30 | Efficient Pourbaix diagrams of many-element compounds | Pourbaix diagrams have long been an essential tool for determining the phase
stability of solids and their associated ionic species under electrochemical
conditions. In recent years, Pourbaix diagrams have been used for applications
ranging from corrosion-resistance alloy design to electrocatalysis, and the
data from w... | 1909.00035v1 |
2019-09-03 | Defects in Cd3As2 Epilayers Via Molecular Beam Epitaxy and Strategies for Reducing Them | Molecular beam epitaxy offers an exciting avenue for investigating the
behavior of topological semimetal Cd3As2, by providing routes for doping,
alloying, strain engineering, and heterostructure formation. To date, however,
minimal exploration has been devoted to the impact of defects that are
incorporated into epilaye... | 1909.01450v1 |
2019-09-05 | Spin-orbit related power-law dependence of the diffusive conductivity on the carrier density in disordered Rashba two-dimensional electron systems | By using the momentum-space Lanczos recursive method which considers
rigorously all multiple-scattering events, we unveil that the non-perturbative
disorder effect has dramatic impact on the charge transport of a
two-dimensional electron system with Rashba spin-orbit coupling in the
low-density region. Our simulations ... | 1909.02186v3 |
2019-08-21 | Computational Screening of Current Collectors for Enabling Anode-free Lithium Metal Batteries | Lithium metal cells are key towards achieving high specific energy and energy
density for electrification of transportation and aviation. Anode-free cells
are the limiting case of lithium metal cells involving no excess lithium and
the highest possible specific energy. In addition, anode-free cells are easier,
cheaper ... | 1909.02404v1 |
2019-09-05 | Effect of Oxygen on Hydrogen Diffusivity in hcp-Zirconium | Zirconium and its alloys are extensively used as cladding material in nuclear
reactors. They are vulnerable to hydrogen degradation under the harsh service
conditions of the reactors, which necessitates continuous monitoring for the
hydride concentration. The presence of hydride denuded zones in the latter
stages of th... | 1909.02486v1 |
2019-09-09 | Weak anti-localization in spin-orbit coupled lattice systems | The quantum correction to electrical conductivity is studied on the basis of
two-dimensional Wolff Hamiltonian, which is an effective model for a spin-orbit
coupled (SOC) lattice system. It is shown that weak anti-localization (WAL)
arises in SOC lattices, although its mechanism and properties are different
from the co... | 1909.03757v1 |
2019-09-11 | MOVPE-grown Si-doped \b{eta}-(Al0.26Ga0.74)2O3 thin films and heterostructures | We report on n-type degenerate doping in MOVPE grown
\b{eta}-(Al0.26Ga0.74)2O3 epitaxial thin films and modulation doping in
\b{eta}-(Al0.26Ga0.74)2O3/\b{eta}-Ga2O3 heterostructure. Alloy composition is
confirmed using HRXRD measurements. Carrier concentration in the thin films is
proportional to the silane molar flow.... | 1909.04855v1 |
2019-09-13 | Transport properties of doped permalloy via ab-initio calculations: effect of the host disorder | Transport properties of permalloy doped with V, Co, Pt, and Au are explored
via ab-initio calculations. The Kubo-Bastin formula is evaluated within the
fully relativistic Korringa-Kohn-Rostoker Green function formalism. Finite
temperature effects are treated by means of the alloy analogy model. It is
shown that the fac... | 1909.06066v3 |
2019-09-14 | Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis | We propose a novel data-driven approach for analyzing synchrotron Laue X-ray
microdiffraction scans based on machine learning algorithms. The basic
architecture and major components of the method are formulated mathematically.
We demonstrate it through typical examples including polycrystalline BaTiO$_3$,
multiphase tr... | 1909.06572v1 |
2019-09-14 | Derived Crystal Structure of Martensitic Materials by Solid-Solid Phase Transformation | We propose a mathematical description of crystal structure: underlying
translational periodicity together with the distinct atomic positions up to the
symmetry operations in the unit cell. It is consistent with the international
table of crystallography. By the Cauchy-Born hypothesis, such a description can
be integrat... | 1909.06574v1 |
2019-09-21 | Basal dislocation/precipitate interactions in Mg-Al alloys: an atomistic investigation | The interaction between edge basal dislocations and
$\beta$-Mg$_{17}$Al$_{12}$ precipitates was studied using atomistic
simulations. A strategy was developed to insert a lozenge-shaped
Mg$_{17}$Al$_{12}$ precipitate with Burgers orientation relationship within the
Mg matrix in an atomistic model ensuring that the matri... | 1909.09760v1 |
2019-09-24 | Review on Generalized Dynamics of Soft-Matter Quasicrystals and Its Applications | This article provides a detailed review on the generalized dynamics of
soft-matter quasicrystals developed recent years. Comparing to solid
quasicrystals consisted mainly with metallic alloys, soft-matter quasicrystals
have been observed in liquid crystals, polymers, colloids, nanoparticles, and
surfactants, which indi... | 1909.10676v2 |
2019-09-24 | An analytical relation between Weibull's and Basquin's laws for smooth and notched specimens and application to constant amplitude fatigue | Starting from the classical definition of stress-life Wohler curve in the
form of Basquin's law, an analytical procedure for the calibration of the four
parameters Wohler curve (Weibull's law) for a plain specimen is proposed. The
obtained parameters are then adjusted by means of an additional slope factor
preserving t... | 1909.10741v1 |
2019-09-25 | Magneto-optic and transverse transport properties of non-collinear antiferromagnets | Previous studies on the anomalous Hall effect in coplanar non-collinear
antiferromagnets are revisited and extended to magneto-optic properties, namely
magneto-optic Kerr effect (MOKE) and X-ray magnetic dichroism (XMCD). Starting
from group-theoretical considerations the shape of the frequency-dependent
conductivity t... | 1909.11375v1 |
2019-11-30 | Structural relaxation in amorphous materials under cyclic tension-compression loading | The process of structural relaxation in disordered solids subjected to
repeated tension-compression loading is studied using molecular dynamics
simulations. The binary glass is prepared by rapid cooling well below the glass
transition temperature and then periodically strained at constant volume. We
find that the amorp... | 1912.00221v1 |
2019-12-10 | Oxygen Incorporation in the MBE growth of ScxGa1-xN and ScxAl1-xN | Secondary-ion Mass Spectrometry (SIMS) is used to determine impurity
concentrations of carbon and oxygen in two scandium containing nitride
semiconductor multilayer heterostructures: ScxGa1-xN/GaN and ScxAl1-xN/AlN
grown by molecular beam epitaxy (MBE). In the ScxGa1-xN/GaN heterostructure
grown in metal rich condition... | 1912.04495v1 |
2019-12-17 | Decorated dislocations against phonon propagation for thermal management | The impact of decorated dislocations on the effective thermal conductivity of
GaN is investigated by means of equilibrium molecular dynamics simulations via
the Green-Kubo approach. The formation of "nanowires" by a few atoms of In in
the core of dislocations in wurtzite GaN is found to affect the thermal
properties of... | 1912.07923v1 |
2019-12-27 | Ultra-sensitive hybrid diamond nanothermometer | Nitrogen-vacancy (NV) centers in diamond are promising quantum sensors for
their long spin coherence time under ambient conditions. However, their spin
resonances are relatively insensitive to non-magnetic parameters such as
temperature. A magnetic-nanoparticle-nanodiamond hybrid thermometer, where the
temperature chan... | 1912.12097v1 |
2020-02-11 | The role of delocalized chemical bonding in square-net-based topological semimetals | Principles that predict reactions or properties of materials define the
discipline of chemistry. In this work we derive chemical rules, based on atomic
distances and chemical bond character, which predict topological materials in
compounds that feature the structural motif of a square-net. Using these rules
we identify... | 2002.04611v1 |
2020-02-13 | Stabilized Interfacial Ferromagnetism and Enhanced Magnetoelectric Properties of Ultrathin FeRh Films Capped with Heavy Transition Metal Ta | Thin FeRh film was extensively studied recently, and an emergent substrate-
and capping-dependent interfacial ferromagnetism (FM) was widely observed in
experiments. However, the voltage modulation of this interfacial ferromagnetism
is barely studied, which would have profound applications in antiferromagnetic
(AFM) Fe... | 2002.05621v1 |
2020-02-14 | Effects of intrinsic defects and alloying with Fe on the half-metallicity of Co$_2$MnSi | The electronic structure and half-metallic gap of Co$_{2}$MnSi in the
presence of crystallographic defects, partial Fe substitution for Mn, and
thermal spin fluctuations are studied using the coherent potential
approximation and the disordered local moment method. In the presence of 5\% Co
or Mn vacancies the Fermi lev... | 2002.06173v1 |
2020-02-25 | Symmetry protection and giant Fermi arcs from multifold fermions in binary, ternary, and quaternary compounds | Higher-fold chiral fermions that go beyond two-fold Weyl fermions have
recently been reported in crystalline systems. Here, we focus on such
excitations in several binary, ternary and quaternary alloys/compounds with
CoGe, BiSbPt and KMgBO3 as the representative examples that belong to the
crystal space group (SG) 198.... | 2002.11145v2 |
2020-02-25 | Low-temperature formation of platinum silicides on polycrystalline silicon | Phase formation and transitions in platinum silicide films on polycrystalline
Si in the process of Pt magnetron sputtering and heat treatments at different
temperatures are studied using X-ray photoelectron spectroscopy,
high-resolution transmission electron microscopy and X-ray diffractometry.
Phases of amorphous and ... | 2002.11189v2 |
2020-02-26 | Effect of He on the Order-Disorder Transition in Ni3Al under Irradiation | The order-disorder transition in Ni-Al alloys under irradiation represents an
interplay between various re-ordering processes and disordering due to thermal
spikes generated by incident high energy particles. Typically, ordering in
enabled by diffusion of thermally-generated vacancies, and can only take place
at temper... | 2002.11659v1 |
2020-03-02 | Low field transport calculations in 2-dimensional electron gas in $\mathrm{β\mbox{-}(Al_{x}Ga_{1-x})_{2}O_{3}/Ga_{2}O_{3}}$ heterostructures | $\mathrm{\beta}$-Gallium oxide ($\mathrm{\beta\mbox{-}Ga_{2}O_{3}}$) is an
emerging widebandgap semiconductor for potential application in power and RF
electronics applications. Initial theoretical calculation on a 2-dimensional
electron gas (2DEG) in
$\mathrm{\beta\mbox{-}(Al_{x}Ga_{1-x})_{2}O_{3}/Ga_{2}O_{3}}$ hetero... | 2003.00959v1 |
2020-03-05 | On the shear-affected zone of shear bands in bulk metallic glasses | Notched bars of bulk metallic glasses, Pd$_{40}$Ni$_{40}$P$_{20}$ and
Zr$_{52.5}$Cu$_{17.9}$Ni$_{14.6}$Al$_{10}$Ti$_{5}$, were deformed under 3-point
bending conditions, resulting in the formation of shear bands before failure.
The immediate environment of shear bands was investigated in detail using
fluctuation electr... | 2003.02565v1 |
2020-03-11 | Three-dimensional needle network model for dendritic growth with fluid flow | We present a first implementation of the Dendritic Needle Network (DNN) model
for dendritic crystal growth in three dimensions including convective transport
in the melt. The numerical solving of the Navier-Stokes equations is performed
with finite differences and is validated by comparison with a classical
benchmark i... | 2003.05248v2 |
2020-03-11 | Comparing mesoscopic models for dendritic growth | We present a quantitative benchmark of multiscale models for dendritic growth
simulations. We focus on approaches based on phase-field, dendritic needle
network, and grain envelope dynamics. As a first step, we focus on isothermal
growth of an equiaxed grain in a supersaturated liquid in three dimensions. A
quantitativ... | 2003.05250v2 |
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