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2024-02-10 | A space-time gauge theory for modeling ductile damage and its NOSB peridynamic implementation | Local translational and scaling symmetries in space-time is exploited for
modelling ductile damage in metals and alloys over wide ranges of strain rate
and temperature. The invariant energy density corresponding to the ductile
deformation is constructed through the gauge invariant curvature tensor by
imposing the Weyl ... | 2403.09685v1 |
2024-03-14 | Adapting OC20-trained EquiformerV2 Models for High-Entropy Materials | Computational high-throughput studies, especially in research on high-entropy
materials and catalysts, are hampered by high-dimensional composition spaces
and myriad structural microstates. They present bottlenecks to the conventional
use of density functional theory calculations, and consequently, the use of
machine-l... | 2403.09811v1 |
2024-03-18 | Laser Annealed Two Dimensional SiO2/Si1-xGex Scaffolds for Nanoscaled Devices, Synergy of Experiment and Computation | Ultraviolet nanosecond laser annealing (UV-NLA) proves to be an important
technique, particularly when tightly controlled heating and melting are
necessary. In the realm of semiconductor technologies, the significance of
laser annealing (NLA) grows in tandem with the escalating intricacy of
integration schemes in nano-... | 2403.11606v1 |
2024-03-19 | Nanoscale brittle-to-ductile transition of the C15 CaAl$_2$ Laves phase | The influence of temperature on the deformation behaviour of the C15 CaAl$_2$
Laves phase, a key constituent for enhancing the mechanical properties of Mg
alloys up to service temperatures of 200 {\deg}C, remains largely unexplored.
This study presents, for the first time, the nanoscale brittle-to-ductile
transition (B... | 2403.12507v1 |
2024-03-28 | MaterialsMap: A CALPHAD-Based Tool to Design Composition Pathways through feasibility map for Desired Dissimilar Materials, demonstrated with RSW Joining of Ag-Al-Cu | Assembly of dissimilar metals can be achieved by different methods, for
example, casting, welding, and additive manufacturing (AM). However, undesired
phases formed in liquid-phase assembling processes due to solute segregation
during solidification diminish mechanical and other properties of the processed
parts. In th... | 2403.19084v1 |
2024-04-01 | Stabilization and high thermoelectric performance of high-entropy-type cubic AgBi(S, Se, Te)2 | As thermoelectric generators can convert waste heat into electricity, they
play an important role in energy harvesting. The metal chalcogenide AgBiSe2 is
one of the high-performance thermoelectric materials with low lattice thermal
conductivity (klat), but it exhibits temperature-dependent crystal structural
transition... | 2404.00984v1 |
2024-04-01 | MICROSIM: A high performance phase-field solver based on CPU and GPU implementations | The phase-field method has become a useful tool for the simulation of
classical metallurgical phase transformations as well as other phenomena
related to materials science. The thermodynamic consistency that forms the
basis of these formulations lends to its strong predictive capabilities and
utility. However, a strong... | 2404.01035v1 |
2024-04-03 | Tuning superconductivity in nanosecond laser annealed boron doped $Si_{1-x}Ge_{x}$ epilayers | Superconductivity in ultra-doped $Si_{1-x}Ge_{x}:B$ epilayers is demonstrated
by nanosecond laser doping, which allows introducing substitutional B
concentrations well above the solubility limit and up to $7\,at.\%$. A Ge
fraction $x$ ranging from 0 to 0.21 is incorporated in $Si:B$ : 1) through a
precursor gas by Gas ... | 2404.02748v1 |
2024-04-07 | Element-specific ultrafast lattice dynamics in FePt nanoparticles | Light-matter interaction at the nanoscale in magnetic alloys and
heterostructures is a topic of intense research in view of potential
applications in high-density magnetic recording. While the element-specific
dynamics of electron spins is directly accessible to resonant x-ray pulses with
femtosecond time structure, th... | 2404.04980v2 |
2024-04-10 | Origin of pinning disorder in magnetic-field-induced Wigner solids | At low Landau level filling factors ($\nu$), Wigner solid phases of
two-dimensional electron systems in GaAs are pinned by disorder, and exhibit a
pinning mode, whose frequency is a measure of the disorder that pins the Wigner
solid. Despite numerous studies spanning the last three decades, the origin of
the disorder t... | 2404.07369v1 |
2024-04-11 | Wettability-dependent dissolution dynamics of oxygen bubbles on Ti64 substrates | In this study, the dissolution of a single oxygen bubble on a solid surface,
here Titianium alloy Ti64, in ultrapure water with different oxygen
undersaturation levels is investigated. For that purpose, a combination of
shadowgraph technique and planar laser-induced fluorescence is used to measure
simultaneously the ch... | 2404.07483v1 |
2024-03-14 | Analysis of growth of silicon thin films on textured and non-textured surface | Hydrogenated amorphous silicon alloy films are generally deposited by radio
frequency plasma enhanced chemical vapor deposition (RF PECVD) technique on
various types of substrates. Generally it is assumed that film quality remains
unchanged when deposited on textured or non-textured substrates. Here we
analyzed the dif... | 2404.08651v1 |
2024-04-13 | Layer-by-layer connection for large area single crystal boron nitride multilayer films | Boron nitride (BN) is today considered as one of the most promising materials
for many novel applications including bright single photon emission, deep UV
opto-electronics, small sized solid-state neutron detector, and
high-performance two-dimensional materials, etc. Despite the recent successful
fabrication of large-a... | 2404.08875v1 |
2024-04-17 | Interplay between magnetic and lattice excitations and emergent multiple phase transitions in MnPSe3-xSx | The intricate interplay between spin and lattice degrees of freedom in
two-dimensional magnetic materials plays a pivotal role in modifying their
magnetic characteristics, engendering hybrid quasiparticles, and implementing
functional devices. Herein, we present our comprehensive and in-depth
investigations on magnetic... | 2404.11099v1 |
2006-06-25 | Uranium partitioning between liquid iron and silicate melt at high pressures: implications for uranium solubility in planetary cores | We have investigated the partitioning of U between silicate melt and Fe
liquid at pressures of 3.0 to14.5 GPa and temperatures of 1660 to 2500 oC. The
solubility of U in liquid Fe is in the range of 0.6 to 800 ppm and increases
with temperature (T) and pressure (P). When P = or > 7 GPa and T > Tmelt of the
silicate pha... | 0606614v4 |
1998-01-09 | Band-width control in a perovskite-type 3d^1 correlated metal Ca_{1-x}Sr_xVO_3. I. Evolution of the electronic properties and effective mass | Single crystals of the perovskite-type $3d^{1}$ metallic alloy system
Ca$_{1-x}$Sr$_x$VO$_3$ were synthesized in order to investigate metallic
properties near the Mott transition. The substitution of a Ca$^{2+}$ ion for a
Sr$^{2+}$ ion reduces the band width $W$ due to a buckling of the V-O-V bond
angle from $\sim180^\... | 9801073v3 |
1999-01-13 | Influence of uniaxial stress on the lamellar spacing of eutectics | Directional solidification of lamellar eutectic structures submitted to
uniaxial stress is investigated. In the spirit of an approximation first used
by Jackson and Hunt, we calculate the stress tensor for a two-dimensional
crystal with triangular surface, using a Fourier expansion of the Airy
function. crystal with tr... | 9901120v1 |
2000-02-25 | Phonon Scattering and Internal Friction in Dielectric and Metallic Films at Low Temperatures | We have measured the heat conduction between 0.05 K and 1.0 K of high purity
silicon wafers carrying on their polished faces a variety of thin dielectric
films and polycrystalline thin metallic films. Using a Monte Carlo simulation
to analyze the conduction measurements, we have determined the phonon mean free
path wit... | 0002413v2 |
2001-03-20 | Thin Film Magnesium Boride Superconductor with Very High Critical Current Density and Enhanced Irreversibility Field | The discovery of superconductivity at 39 K in magnesium diboride offers the
possibility of a new class of low-cost, high-performance superconducting
materials for magnets and electronic applications. With twice the critical
temperature of Nb_3Sn and four times that of Nb-Ti alloy, MgB_2 has the
potential to reach much ... | 0103425v1 |
2002-03-15 | Distribution of carbon atoms in iron-carbon fcc phase: an experimental and theoretical study | This paper presents an experimental and theoretical study of the distribution
of carbon atoms in the octahedral interstitial sites of the face-centered cubic
(fcc) phase of the iron-carbon system. The experimental part of the work
consists of Mossbauer measurements in Fe-C alloys with up to about 12 atomic
percent C, w... | 0203327v1 |
2004-11-17 | Electronic structure and magnetic properties of RMnX (R= Mg, Ca, Sr, Ba, Y; X= Si, Ge) studied by KKR method | Electronic structure calculations, using the charge and spin self-consistent
Korringa- Kohn-Rostoker (KKR) method, have been performed for several $R$Mn$X$
compounds ($R$ = Mg, Ca, Sr, Ba, Y; $X$ = Si, Ge) of the CeFeSi-type structure.
The origin of their magnetic properties has been investigated emphasizing the
role o... | 0411436v1 |
2005-06-28 | Excitons, biexcitons and trions in self-assembled (In,Ga)As/GaAs quantum dots: Recombination energies, polarization and radiative lifetimes versus dot height | We calculate the height dependence of recombination energies, polarization
and radiative lifetimes of the optical transitions of various excitonic
complexes: neutral excitons (X^0), negatively- (X^-) and positively-charged
(X^+) trions, and biexcitons (XX^0) in lens-shaped, self-assembled
In_0.6Ga_0.4As/GaAs quantum do... | 0506714v2 |
2008-01-31 | Zero-field spin-splitting and spin lifetime in n-InSb/In1-xAlxSb asymmetric quantum well heterostructures | The spin-orbit (SO) coupling parameters for lowest conduction subband due to
structural (SIA) and bulk (BIA) inversion asymmetry are calculated for a range
of carrier densities in [001]-grown delta-doped n-type InSb/In1-xAlxSb
asymmetric quantum wells using the established 8 band k.p formalism [PRB 59,8
R5312 (1999)]. ... | 0801.4849v2 |
2008-06-09 | Detection of high energy cosmic rays with the resonant gravitational wave detector NAUTILUS and EXPLORER | The cryogenic resonant gravitational wave detectors NAUTILUS and EXPLORER,
made of an aluminum alloy bar, can detect cosmic ray showers. At temperatures
above 1 K, when the material is in the normal conducting state, the measured
signals are in good agreement with the values expected based on the cosmic rays
data and o... | 0806.1335v2 |
2008-07-17 | The sign of electron g-factor in GaAs(1-x)N(x) measured by using the Hanle effect | Positive signs of the effective g-factors for free electrons in the
conduction band and electrons localized on deep paramagnetic centers have been
measured in nitrogen dilute alloy GaAs{0.979}N{0.021} at room temperature. The
g-factor signs have been determined from an asymmetry in the depolarization of
edge photolumin... | 0807.2842v1 |
2008-08-04 | Local structures of polar wurtzites Zn_{1-x}Mg_{x}O studied by Raman and {67}Zn/{25}Mg NMR spectroscopies and by total neutron scattering | Local compositions and structures of Zn_{1-x}Mg_{x}O alloys have been
investigated by Raman and solid-state {67}Zn/{25}Mg nuclear magnetic resonance
(NMR) spectroscopies, and by neutron pair-distribution-function (PDF) analyses.
The E2(low) and E2(high) Raman modes of Zn_{1-x}Mg_{x}O display Gaussian- and
Lorentzian-ty... | 0808.0492v1 |
2009-11-12 | Carrier-induced refractive index change and optical absorption in wurtzite InN and GaN: Fullband approach | Based on the full band electronic structure calculations, first we consider
the effect of n-type doping on the optical absorption and the refractive index
in wurtzite InN and GaN. We identify quite different dielectric response in
either case; while InN shows a significant shift in the absorption edge due to
n-type dop... | 0911.2312v2 |
2010-12-03 | Room temperature ferromagnetism and anomalous Hall effect in Si_{1-x}Mn_x (x = 0.35) alloys | A detailed study of the magnetic and transport properties of Si1-xMnx (X =
0.35) films is presented. We observe the anomalous Hall effect (AHE) in these
films up to room temperature. The results of the magnetic measurements and the
AHE data are consistent and demonstrate the existence of long-range
ferromagnetic (FM) o... | 1012.0715v1 |
2011-07-16 | Intrinsic anomalous Hall effect in nickel: An GGA+U study | The electronic structure and intrinsic anomalous Hall conductivity of nickel
have been calculated based on the generalized gradient approximation (GGA) plus
on-site Coulomb interaction (GGA+U) scheme. It is found that the intrinsic
anomalous Hall conductivity ($\sigma_{xy}^H$) obtained from the GGA+U
calculations with ... | 1107.3242v2 |
2011-09-09 | First-principles Electronic Structure of Superconductor Ca$_4$Al$_2$O$_6$Fe$_2$P$_2$: Comparison with LaFePO and Ca$_4$Al$_2$O$_6$Fe$_2$As$_2$ | We investigate the electronic structures of iron-based superconductors having
perovskite-like blocking layers, %Ca$_4$Al$_2$O$_6$Fe$_2$(As$_{1-x}$P$_x$)$_2$
from first principles. Ca$_4$Al$_2$O$_6$Fe$_2$P$_2$ and
Ca$_4$Al$_2$O$_6$Fe$_2$As$_2$ from first principles.
Ca$_4$Al$_2$O$_6$Fe$_2$P$_2$ is found to have two hole... | 1109.2054v2 |
2011-09-10 | Structural and Optical properties of Zn(1-x)MgxO nanocrystals obtained by low temperature method | In this paper we report structural and optical properties of Magnesium
substituted Zinc Oxide (Zn1-xMgxO) nanocrystals (~10-12nm) synthesized by low
temperature route. In the low temperature synthesis route it was possible to
reach x = 0.17 without segregation of Mg rich phase. The exact chemical
composition has been e... | 1109.2250v1 |
2011-11-21 | Densest binary sphere packings | The densest binary sphere packings in the alpha-x plane of small to large
sphere radius ratio alpha and small sphere relative concentration x have
historically been very difficult to determine. Previous research had led to the
prediction that these packings were composed of a few known "alloy" phases
including, for exa... | 1111.4917v2 |
2012-05-04 | Nonlinear mushy-layer convection with chimneys: stability and optimal solute fluxes | We model buoyancy-driven convection with chimneys -- channels of zero solid
fraction -- in a mushy layer formed during directional solidification of a
binary alloy in two-dimensions. A large suite of numerical simulations is
combined with scaling analysis in order to study the parametric dependence of
the flow. Stabili... | 1205.0964v2 |
2012-05-28 | Origin of the Heavy Fermion Behavior in Ca_{2-x}Sr_{x}RuO_{4}: Roles of Coulomb Interaction and the Rotation of RuO_{6} octahedra | We study the electronic states for Ca_{2-x}Sr_{x}RuO_{4} in $0.5\leq x \leq
2$ within the Gutzwiller approximation (GA) on the basis of the three-orbital
Hubbard model for the Ru t_{2g} orbitals. The main effects of the Ca
substitution are taken account as the changes of the $dp$ hybridizations
between the Ru 4d and O ... | 1205.6053v2 |
2013-04-23 | Thermodynamic and mechanical properties of copper precipitates in alpha-iron from atomistic simulations | The Fe-Cu system has attracted much attention over the last several decades
due to its technological importance as a model alloy for Cu steels. In spite of
these efforts several aspects of its phase diagram remain unexplained. Here we
use atomistic simulations to characterize the polymorphic phase diagram of Cu
precipi... | 1304.6187v2 |
2013-05-13 | The algebraic cast of Poincaré's Méthodes nouvelles de la mécanique céleste | This paper aims at shedding a new light on the novelty of Poincar\'e's
M\'ethodes nouvelles de la m\'ecanique c\'eleste. The latter's approach to the
three-body-problem has often been celebrated as a starting point of chaos
theory in relation to the investigation of dynamical systems. Yet, the novelty
of Poincar\'e's s... | 1305.2689v1 |
2013-05-22 | Non-Fermi liquid behaviour from dynamical effects of impurity scattering in correlated Fermi liquids | The interplay of disorder and interactions is a subject of perennial
interest. In this work, we have investigated the effect of disorder due to
chemical substitution on the dynamics and transport properties of correlated
Fermi liquids. A low frequency analysis in the concentrated and dilute limits
shows that the dynami... | 1305.5111v4 |
2013-06-06 | Hydrostatic strain enhancement in laterally confined SiGe nanostripes | Strain-engineering in SiGe nanostructures is fundamental for the design of
optoelectronic devices at the nanoscale. Here we explore a new strategy, where
SiGe structures are laterally confined by the Si substrate, to obtain high
tensile strain avoiding the use of external stressors, and thus improving the
scalability. ... | 1306.1412v1 |
2013-07-16 | The influence of Auger recombination on the performance of quantum-dot light-emitting diodes | A growing interest in colloidal quantum dot (QD) based light-emitting diodes
(QD-LEDs) has been motivated by the exceptional color purity and spectral
tunability of QD emission as well as the amenability of QD materials to highly
scalable and inexpensive solution processing. One current challenge in the
QD-LED field ha... | 1307.4434v2 |
2013-10-07 | Topological phase transitions in (Bi$_{1-x}$In$_{x})_2$Se$_3$ and (Bi$_{1-x}$Sb$_{x})_2$Se$_3$ | We study the phase transition from a topological to a normal insulator with
concentration $x$ in (Bi$_{1-x}$In$_{x})_2$Se$_3$ and
(Bi$_{1-x}$Sb$_{x})_2$Se$_3$ in the Bi$_2$Se$_3$ crystal structure. We carry
out first-principles calculations on small supercells, using this information
to build Wannierized effective Hami... | 1310.1692v2 |
2013-10-16 | Macroscopic Elastic Properties of Textured ZrN--AlN Polycrystalline Aggregates: From Ab initio Calculations to Grain-Scale Interactions | Despite the fast development of computational materials modelling,
theoretical description of macroscopic elastic properties of textured
polycrystalline aggregates starting from basic principles remains a challenging
task. In this communication we use a supercell-based approach to obtain the
elastic properties of rando... | 1310.4344v2 |
2013-10-24 | Examination of the tradeoff between intrinsic and extrinsic properties in the optimization of a modern internal tin Nb3Sn conductor | In modern Nb3Sn wires there is a fundamental compromise to be made between
optimizing the intrinsic properties associated with the superfluid density in
the A15 phase (e.g. Tc, Hc, Hc2, all of which are composition dependent),
maximizing the quantity of A15 that can be formed from a given mixture of Nb,
Sn and Cu, mini... | 1310.6729v2 |
2013-12-08 | Atomic-scale analysis of liquid-gallium embrittlement of aluminum grain boundaries | In this work, we explore the role of atomistic-scale energetics on
liquid-metal embrittlement of Al due to Ga. Ab initio and molecular mechanics
were employed to probe the binding energies of vacancies and segregation
energies of Ga for <100>, <110> and <111> STGBs in Al. We found that the GB
local arrangements and res... | 1312.2160v2 |
2014-01-29 | Seeded growth of monodisperse and spherical silver nanoparticles | Aiming at spherical and monodisperse silver nanoparticles with diameters up
to 100 nm, the potential of heterogeneous nucleation of silver particles was
explored. Gold seed particles, mainly produced with a spark discharge
generator, were carried by nitrogen through a three-zone tube furnace. Silver
was evaporated at 1... | 1401.7554v3 |
2014-03-03 | Bayesian Density Estimation via Multiple Sequential Inversions of 2-D Images with Application in Electron Microscopy | We present a new Bayesian methodology to learn the unknown material density
of a given sample by inverting its two-dimensional images that are taken with a
Scanning Electron Microscope. An image results from a sequence of projections
of the convolution of the density function with the unknown microscopy
correction func... | 1403.0510v1 |
2014-03-18 | Exploring high temperature magnetic order in CeTi_1-xSc_xGe | Most of magnetic transitions related to Ce ordering are found below
T_ord~12K. Among the few cases exceeding that temperature, two types of
behaviors can be distinguished. One of them is related to the rare cases of Ce
binary compounds formed in BCC structures, with a quartet ground state, whose
degeneracy is reduced b... | 1403.4490v1 |
2014-07-02 | Quadrupolar Singlet Ground State of Praseodymium in a Modulated Pyrochlore | The complex structure and magnetism of Pr$_{2-x}$Bi$_x$Ru$_2$O$_7$ was
investigated by neutron scattering and EXAFS. Pr has an approximate doublet
ground-state and the first excited state is a singlet. This overall crystal
field level scheme is similar to metallic Pr$_2$Ir$_2$O$_7$, which is also
reported here. While t... | 1407.0661v1 |
2014-07-30 | Transition metal solute interactions with point defects in austenitic iron from first principles | We present a comprehensive set of first principles electronic structure
calculations to study transition metal solutes and their interactions with
point defects in austenite. Clear trends were observed across the series.
Solute-defect interactions were strongly correlated to the solute size factors,
consistent with loc... | 1407.7996v1 |
2014-12-09 | Properties and Collapse of the Ferromagnetism in UCo1-xRuxAl Studied in Single Crystals | We have investigated the ferromagnetic (FM) phase which suddenly develops in
UCo1-xRuxAl and is isolated by paramagnetic regions on both sides from the
parent UCoAl and URuAl. For that purpose we have grown high quality single
crystals with x = 0.62, 0.70, 0.74, 0.75 and 0.78. The properties of the FM
phase have been i... | 1412.2904v2 |
2015-02-03 | Irreversible transformation of ferromagnetic ordered stripe domains in single-shot IR pump - resonant X-ray scattering probe experiments | The evolution of a magnetic domain structure upon excitation by an intense,
femtosecond Infra-Red (IR) laser pulse has been investigated using single-shot
based time-resolved resonant X-ray scattering at the X-ray Free Electron laser
LCLS. A well-ordered stripe domain pattern as present in a thin CoPd alloy film
has be... | 1502.00786v1 |
2015-02-26 | A Dictionary Approach to EBSD Indexing | We propose a framework for indexing of grain and sub-grain structures in
electron backscatter diffraction (EBSD) images of polycrystalline materials.
The framework is based on a previously introduced physics-based forward model
by Callahan and De Graef (2013) relating measured patterns to grain
orientations (Euler angl... | 1502.07436v2 |
2015-03-01 | Atomistic $k.p$ theory | Pseudopotentials, tight-binding models, and $k\cdot p$ theory have stood for
many years as the standard techniques for computing electronic states in
crystalline solids. Here we present the first new method in decades, which we
call atomistic $k\cdot p$ theory. In its usual formulation, $k\cdot p$ theory
has the advant... | 1503.00217v3 |
2015-05-11 | First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS | We conduct comprehensive investigations of both thermal and electrical
transport properties of SnSe and SnS using first-principles calculations
combined with the Boltzmann transport theory. Due to the distinct layered
lattice structure, SnSe and SnS exhibit similarly anisotropic thermal and
electrical behaviors. The cr... | 1505.02601v3 |
2015-09-08 | Pinning and elastic properties of vortex matter in highly strained Nb$_{75}$Zr$_{25}$: Analogy with viscous flow of disordered solids | We present the results of magnetization and magneto-transport measurements in
the superconducting state of an as-cast Nb$_{75}$Zr$_{25}$ alloy. We also
report the careful investigation of the microstructure of our sample at various
length scales by using optical, scanning electron and transmission electron
microscopies... | 1509.02313v1 |
2015-11-16 | Electric quadrupole interaction in cubic BCC alpha-Fe | Moessbauer transmission spectra for the 14.41-keV resonant line in 57Fe have
been collected at room temperature by using 57Co(Rh) commercial source and
alpha-Fe strain-free single crystal as an absorber. The absorber was magnetized
to saturation in the absorber plane perpendicular to the gamma-ray beam axis
applying sm... | 1511.04933v4 |
2015-11-17 | Pauli-limited superconductivity and antiferromagnetism in the heavy-fermion compound CeCo(In1-xZnx)5 | We report on the anisotropic properties of Pauli-limited superconductivity
(SC) and antiferromagnetism (AFM) in the solid solutions CeCo(In_{1-x}Zn_x)_5
(x<=0.07). In CeCo(In_{1-x}Zn_x)_5, the SC transition temperature T_c is
continuously reduced from 2.3 K (x=0) to ~1.4 K (x=0.07) by doping Zn, and then
the AFM order ... | 1511.05241v1 |
2015-11-23 | CPP Magnetoresistance of Magnetic Multilayers: A critical review | We present a comprehensive review of data and analysis of Giant (G)
Magnetoresistance (MR) with Current-flow Perpendicular-to-layer-Planes (CPP-MR)
of magnetic multilayers [F/N]n (n = number of repeats) with alternating
nanoscale layers of ferromagnetic (F) and non-magnetic (N) metals. GMR, a large
change in resistance... | 1511.07387v1 |
2016-01-26 | Radial Stark effect in (In,Ga)N nanowires | We study the luminescence of unintentionally doped and Si-doped
In$_x$Ga$_{1-x}$N nanowires with a low In content (x<0.2) grown by molecular
beam epitaxy on Si substrates. The emission band observed at 300 K from the
unintentionally doped samples is centered at much lower energies (800 meV) than
expected from the In co... | 1601.07201v2 |
2016-02-02 | Field-insensitive heavy fermion features and phase transition in the caged-structure quasi-skutterudite Sm$_3$Ru$_4$Ge$_{13}$ | The robust field-insensitive heavy fermion features in Sm$_3$Ru$_4$Ge$_{13}$
and the magnetic phase transition at $T_N \approx$ 5~K are studied using
magnetization $M(T)$, specific heat $C_p(T)$, resistivity $\rho(T)$ and thermal
conductivity $\kappa_T(T)$. The average crystal structure of
Sm$_3$Ru$_4$Ge$_{13}$ conform... | 1602.00957v1 |
2016-05-17 | Topologically close-packed phases in binary transition-metal compounds: matching high-throughput ab initio calculations to an empirical structure map | In steels and single-crystal superalloys the control of the formation of
topologically close-packed (TCP) phases is critical for the performance of the
material. The structural stability of TCP phases in multi-component
transition-metal alloys may be rationalised in terms of the average
valence-electron count $\bar{N}$... | 1605.05188v1 |
2016-05-19 | Simulation study of a new InGaN p-layer free Schottky based solar cell | On the road towards next generation high efficiency solar cells, the ternary
Indium Gallium Nitride (InGaN) alloy is a good passenger since it allows to
cover the whole solar spectrum through the change in its Indium composition.
The choice of the main structure of the InGaN solar cell is however crucial.
Obtaining a h... | 1605.05936v1 |
2016-06-14 | A crystallographic model of the {557} habit planes in low-carbon martensitic steels | Low-alloy steels are constituted of twenty-four variants of lath martensite
that exhibit gradients of orientations from Kurdjumov-Sachs (KS) to
Nishiyama-Wassermann (NW). They are structured into four packets on each of the
common close-packed plane {111}fcc// {110}bcc; and each packet is composed of
three blocks const... | 1606.04257v2 |
2016-07-01 | Trapping of solute atoms at grain boundaries in GdNi2 | Lattice locations of 111In impurity probe atoms in intermetallic GdNi2 were
studied as a function of alloy composition and temperature using perturbed
angular correlation spectroscopy (PAC). Three nuclear quadrupole interaction
signals were detected and their equilibrium site fractions were measured up to
700 oC. Two s... | 1607.00160v1 |
2016-07-10 | Eutectic colony formation in systems with interfacial energy anisotropy: A phase field study | Instability of a binary eutectic solidification front to morphological
perturbations due to rejection of a ternary impurity leads to the formation of
eutectic colonies. Whereas, the instability dynamics and the resultant mi-
crostructural features are reasonably well understood for isotropic systems,
several experiment... | 1607.02722v3 |
2016-07-29 | Superconductivity and non-Fermi-liquid behavior in the heavy-fermion compound CeCo$_{1-x}$Ni$_x$In$_5$ | The effect of off-plane impurity on superconductivity and non-Fermi-liquid
(NFL) behavior in the layered heavy-fermion compound CeCo$_{1-x}$Ni$_x$In$_5$
is investigated by specific heat, magnetization, and electrical resistivity
measurements. These measurements reveal that the superconducting (SC)
transition temperatur... | 1607.08680v1 |
2016-09-15 | Self-consistent mapping: Effect of local environment on formation of magnetic moment in alpha-FeSi2 | We suggest here the method of the mapping of DFT calculations on the
multiorbital model in a following way: the parameters of the formulated
multiorbital model should be determined from the requirement that the
self-consistent charge and spin densities found from the ab initio and model
calculations have to be as close... | 1609.04624v1 |
2016-10-03 | The 10% Gd and Ti co-doped BiFeO$_3$: A promising multiferroic material | In this investigation, undoped BiFeO$_3$, Gd doped
Bi$_{0.9}$Gd$_{0.1}$FeO$_3$, and Gd-Ti co-doped
Bi$_{0.9}$Gd$_{0.1}$Fe$_{1-x}$Ti$_x$O$_3$ (x = 0.10, 0.20) materials were
synthesized to report their multiferroic properties. The structural analysis
and phase identification of these multiferroic ceramics were performed... | 1610.00650v1 |
2017-01-03 | Effects of particles on spinodal decomposition: A Phase field study | In this thesis, we study the interplay of phase separation and wetting in
multicomponent systems. For this purpose, we have examined the phase separation
pattern of a binary mixture (AB) in presence of stationary spherical particles
(C) which prefers one of the components of the binary (say, A). Binary AB is
composed o... | 1701.01018v2 |
2017-03-29 | Detailed experimental and numerical analysis of a cylindrical cup deep drawing: pros and cons of using solid-shell elements | The Swift test was originally proposed as a formability test to reproduce the
conditions observed in deep drawing operations. This test consists on forming a
cylindrical cup from a circular blank, using a flat bottom cylindrical punch
and has been extensively studied using both analytical and numerical methods.
This te... | 1703.10126v1 |
2017-08-12 | Modeling the complexity of acoustic emission spectra during intermittent plastic deformation: Power laws and multifractal spectra | Scale invariant power law distributions for acoustic emission signals are
ubiquitous to several plastically deforming materials. However, power law
distributions for the acoustic emission energies are reported in distinctly
different plastically deforming situations such as in hcp and, fcc single and
polycrystalline sa... | 1708.03774v2 |
2017-08-20 | Large anomalous Nernst and spin Nernst effects in noncollinear antiferromagnets Mn$_3X$ ($X$ = Sn, Ge, Ga) | Noncollinear antiferromagnets have recently been attracting considerable
interest partly due to recent surprising discoveries of the anomalous Hall
effect (AHE) in them and partly because they have promising applications in
antiferromagnetic spintronics. Here we study the anomalous Nernst effect (ANE),
a phenomenon hav... | 1708.05933v3 |
2017-09-27 | Recently synthesized (Zr1-xTix)2AlC (0 - x - 1) solid solutions: Theoretical study of the effects of M mixing on physical properties | The effects of M atomic species mixing on the physical properties of newly
synthesized MAX phase (Zr1-xTix)2AlC solid solutions have been studied by means
of density functional theory (DFT) calculations. The lattice constants in good
accord with the experimental results, are found to decrease with Ti content.
The elast... | 1709.09505v2 |
2017-11-15 | The Mpemba index and anomalous relaxation | The Mpemba effect is a counter-intuitive relaxation phenomenon, where a
system prepared at a hot temperature cools down faster than an identical system
initiated at a cold temperature when both are quenched to an even colder bath.
Such non-monotonic relaxations were observed in various systems, including
water, magneti... | 1711.05829v3 |
2017-12-04 | The MICROSCOPE mission: first results of a space test of the Equivalence Principle | According to the Weak Equivalence Principle, all bodies should fall at the
same rate in a gravitational field. The MICROSCOPE satellite, launched in April
2016, aims to test its validity at the $10^{-15}$ precision level, by measuring
the force required to maintain two test masses (of titanium and platinum
alloys) exac... | 1712.01176v2 |
2017-12-04 | Error analysis of a fully discrete Morley finite element approximation for the Cahn-Hilliard equation | This paper proposes and analyzes the Morley element method for the
Cahn-Hilliard equation. It is a fourth order nonlinear singular perturbation
equation arises from the binary alloy problem in materials science, and its
limit is proved to approach the Hele-Shaw flow. If the $L^2(\Omega)$ error
estimate is considered di... | 1712.01338v4 |
2017-12-08 | Impact of intergrain spin transfer torques due to huge thermal gradients on the performance of heat assisted magnetic recording | Heat assisted magnetic recording (HAMR) is a new technology which uses
temporary near field laser heating of the media during write to increase hard
disk drive storage density. By using plasmonic antenna embedded in the write
head, extremely high thermal gradient are created in the recording media (up to
10K/nm). State... | 1712.03302v1 |
2018-03-08 | Helical magnetic structure and the anomalous and topological Hall effects in epitaxial B20 Fe$_{1-y}$Co$_y$Ge films | Epitaxial films of the B20-structure alloy Fe$_{1-y}$Co$_y$Ge were grown by
molecular beam epitaxy on Si (111) substrates. The magnetization varied
smoothly from the bulk-like values of one Bohr magneton per Fe atom for FeGe to
zero for non-magnetic CoGe. The chiral lattice structure leads to a
Dzyaloshinskii-Moriya in... | 1803.03281v2 |
2018-03-08 | Impact of substrate temperature on magnetic properties of plasma-assisted molecular beam epitaxy grown (Ga,Mn)N | A range of high quality Ga1-xMnxN layers have been grown by molecular beam
epitaxy with manganese concentration 0.2 < x < 10%, having the x value tuned by
changing the growth temperature (Tg) between 700 and 590 {\deg}C, respectively.
We present a systematic structural and microstructure characterization by
atomic forc... | 1803.03308v1 |
2018-03-14 | Steel-Based Electrocatalysts for Efficient and Durable Oxygen Evolution in Acidic Media | High overpotentials, particularly an issue of common anode materials, hamper
the process of water electrolysis for clean energy generation. Thanks to
immense research efforts up to date oxygen evolution electrocatalysts based on
earth-abundant elements work efficiently and stably in neutral and alkaline
regimes. Howeve... | 1803.05772v1 |
2018-03-29 | Proposal for a micromagnetic standard problem for materials with Dzyaloshinskii-Moriya interaction | Understanding the role of the Dzyaloshinskii-Moriya interaction (DMI) for the
formation of helimagnetic order, as well as the emergence of skyrmions in
magnetic systems that lack inversion symmetry, has found increasing interest
due to the significant potential for novel spin based technologies. Candidate
materials to ... | 1803.11174v1 |
2018-05-09 | Effects of transition metals on physical properties of M2BC (M = V, Nb, Mo and Ta): a DFT calculation | The electronic band structures along with Fermi surface, anisotropy, Vickers
hardness, analysis of Mulliken populations, optical and thermodynamic
properties were studied for the first time. The optimized unit cell parameters
are compared with available theoretical and experimental results and a
reasonable agreement is... | 1805.03392v2 |
2018-06-12 | Bayesian Uncertainty Quantification and Information Fusion in CALPHAD-based Thermodynamic Modeling | Calculation of phase diagrams is one of the fundamental tools in alloy
design---more specifically under the framework of Integrated Computational
Materials Engineering. Uncertainty quantification of phase diagrams is the
first step required to provide confidence for decision making in property- or
performance-based des... | 1806.05769v3 |
2018-09-06 | Spin-current-mediated rapid magnon localisation and coalescence after ultrafast optical pumping of ferrimagnetic alloys | Sub-picosecond magnetisation manipulation via femtosecond optical pumping has
attracted wide attention ever since its original discovery in 1996. However,
the spatial evolution of the magnetisation is not yet well understood, in part
due to the difficulty in experimentally probing such rapid dynamics. Here, we
find evi... | 1809.02076v2 |
2018-09-13 | Optimization of nonhomogeneous indium-gallium-nitride Schottky-barrier thin-film solar cells | A two-dimensional model was developed to simulate the optoelectronic
characteristics of indium-gallium-nitride (InGaN), thin-film, Schottky-barrier
solar cells. The solar cells comprise a window, designed to reduce the
reflection of incident light, Schottky-barrier and ohmic front electrodes, an
n-doped InGaN wafer, an... | 1809.06347v1 |
2018-09-19 | Contribution of top barrier materials to high mobility in near-surface InAs quantum wells grown on GaSb(001) | Near-surface InAs two-dimensional electron gas (2DEG) systems have great
potential for realizing networks of multiple Majorana zero modes towards a
scalable topological quantum computer. Improving mobility in the near-surface
2DEGs is beneficial for stable topological superconducting states as well as
for correlation o... | 1809.06971v1 |
2018-09-20 | Morphological, nanostructural, and compositional evolution during phase separation of a model Ni-Al-Mo superalloy: Atom-probe tomographic experiments and lattice-kinetic Monte Carlo simulations | The details of phase separation of a Ni-6.5Al-9.9Mo aged at 978 K for aging
times ranging from 0.125 to 1024 h are investigated by atom-probe tomography
and lattice-kinetic Monte Carlo (LKMC) simulations. On the basis of the
temporal evolution of the nanostructure, three experimental regimes are
identified: (1) concomi... | 1809.07438v1 |
2018-11-01 | Extreme Broadband Transparent Optical Phase Change Materials for High-Performance Nonvolatile Photonics | Optical phase change materials (O-PCMs), a unique group of materials
featuring drastic optical property contrast upon solid-state phase transition,
have found widespread adoption in photonic switches and routers, reconfigurable
meta-optics, reflective display, and optical neuromorphic computers. Current
phase change ma... | 1811.00526v2 |
2018-11-14 | Single shot time-resolved magnetic x-ray absorption at a Free Electron Laser | Ultrafast dynamics are generally investigated using stroboscopic pump-probe
measurements, which characterize the sample properties for a single, specific
time delay. These measurements are then repeated for a series of discrete time
delays to reconstruct the overall time trace of the process. As a consequence,
this app... | 1811.05917v1 |
2018-11-27 | Reversible magnetic switching of high-spin molecules on a giant Rashba surface | The quantum mechanical screening of a spin via conduction electrons depends
sensitively on the environment seen by the magnetic impurity. A high degree of
responsiveness can be obtained with metal complexes, as the embedding of a
metal ion into an organic molecule prevents intercalation or alloying and
allows for a goo... | 1811.11294v1 |
2019-11-13 | Electronic structure investigation of GdNi using X-ray absorption, magnetic circular dichroism and hard x-ray photoemission spectroscopy | GdNi is a ferrimagnetic material with a Curie temperature Tc = 69 K which
exhibits a large magnetocaloric effect, making it useful for magnetic
refrigerator applications. We investigate the electronic structure of GdNi by
carrying out x-ray absorption spectroscopy (XAS) and x-ray magnetic circular
dichroism (XMCD) at T... | 1911.05306v2 |
2020-01-06 | Field-angle resolved magnetic excitations as a probe of hidden-order symmetry in CeB6 | In contrast to magnetic order formed by electrons' dipolar moments, ordering
phenomena associated with higher-order multipoles (quadrupoles, octupoles,
etc.) are more difficult to characterize because of the limited choice of
experimental probes that can distinguish different multipolar moments. The
heavy-fermion compo... | 2001.01672v1 |
2020-01-07 | Electronic structure of $β$-SiAlON: effect of varying Al/O concentration at finite temperatures relevant for thermal quenchin | $\beta$-Si$_{6-z}$Al$_{z}$O$_{z}$N$_{8-z}$ is a prominent example of systems
suitable as hosts for creating materials for light-emitting diodes. In this
work, the electronic structure of a series of ordered and disordered
$\beta$-Si$_{6-z}$Al$_{z}$O$_{z}$N$_{8-z}$ systems is investigated by means of
ab initio calculati... | 2001.02150v2 |
2021-07-21 | Comprehensive Study of Lithium Adsorptionand Diffusion on Janus Mo/WXY (X, Y= S,Se, Te) using First Principles and MachineLearning Approaches | The structural asymmetry of two-dimensional (2D) Janus transition metal
dichalcogenides (TMDs) produces internal dipole moments that result in
interesting electronic properties. These properties differ from the regular
(symmetric) TMD structures that the Janus structures are derived from. In this
study, we, at first, e... | 2107.10215v1 |
2021-07-29 | Addressing materials' microstructure diversity using transfer learning | Materials' microstructures are signatures of their alloying composition and
processing history. Therefore, microstructures exist in a wide variety. As
materials become increasingly complex to comply with engineering demands,
advanced computer vision (CV) approaches such as deep learning (DL) inevitably
gain relevance f... | 2107.13841v1 |
2017-04-24 | Distinct Correlation between the Vibrational and Thermal Transport Properties of Group \textrm{VA} Monolayer Crystals | The investigation of thermal transport properties of novel two dimensional
materials is crucially important in order to assess their potential to be used
in future technological applications, such as thermoelectric power generation.
In this respect, lattice thermal transport properties of monolayer structures
of the gr... | 1704.07120v2 |
2017-05-04 | Application of Finite Element, Phase-field, and CALPHAD-based Methods to Additive Manufacturing of Ni-based Superalloys | Numerical simulations are used in this work to investigate aspects of
microstructure and microsegregation during rapid solidification of a Ni-based
superalloy in a laser powder bed fusion additive manufacturing process. Thermal
modeling by finite element analysis simulates the laser melt pool, with surface
temperatures... | 1705.02016v1 |
2018-07-17 | CCAT-prime: a novel telescope for submillimeter astronomy | The CCAT-prime telescope is a 6-meter aperture, crossed-Dragone telescope,
designed for millimeter and sub-millimeter wavelength observations. It will be
located at an altitude of 5600 meters, just below the summit of Cerro
Chajnantor in the high Atacama region of Chile. The telescope's unobscured
optics deliver a fiel... | 1807.06675v1 |
2018-10-24 | Long spin coherence length and bulk-like spin-orbit torque in ferrimagnetic multilayers | Ferromagnetic spintronics has been a main focus as it offers non-volatile
memory and logic applications through current-induced spin-transfer torques.
Enabling wider applications of such magnetic devices requires a lower switching
current for a smaller cell while keeping the thermal stability of magnetic
cells for non-... | 1810.10404v1 |
2019-04-05 | Design of a high power production target for the Beam Dump Facility at CERN | The Beam Dump Facility (BDF) project is a proposed general-purpose facility
at CERN, dedicated to beam dump and fixed target experiments. In its initial
phase, the facility is foreseen to be exploited by the Search for Hidden
Particles (SHiP) experiment. Physics requirements call for a pulsed 400 GeV/c
proton beam as w... | 1904.03074v2 |
2019-04-22 | Vacancy complexes in nonequilibrium germanium-tin semiconductors | Understanding the nature and behavior of vacancy-like defects in epitaxial
GeSn metastable alloys is crucial to elucidate the structural and
optoelectronic properties of these emerging semiconductors. The formation of
vacancies and their complexes is expected to be promoted by the relatively low
substrate temperature r... | 1904.09909v1 |
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