publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2017-01-26 | Precision Pointing of Antennas in Space Using Arrays of Shape Memory Alloy Based Linear Actuators | Space systems such as communication satellites, earth observation satellites
and space telescopes require precise pointing to observe fixed targets over
prolonged time. These systems typically use reaction-wheels to slew the
spacecraft and gimballing systems containing motors to achieve precise
pointing. Motor based ac... | 1701.07561v1 |
2017-03-04 | Tuning the magnetic properties of Fe50-xMnxPt50 thin films | The magnetic and structural properties of highly ordered (S ~ 0.82) epitaxial
Fe50-xMnxPt50 thin films were investigated. We report the change in the
magnetic properties of Mn doped FePt epitaxial thin films. This study differs
from the earlier experimental studies on Mn doped FePt based alloys. Ordered
L10 Fe50-xMnxPt... | 1703.01510v1 |
2017-03-18 | The Effect of Temperature on Cu-K-In-Se Thin Films | Films of Cu-K-In-Se were co-evaporated at varied K/(K+Cu) compositions and
substrate temperatures (with constant (K+Cu)/In ~ 0.85). Increased Na
composition on the substrate's surface and decreased growth temperature were
both found to favor Cu1-xKxInSe2 (CKIS) alloy formation, relative to
mixed-phase CuInSe2 + KInSe2 ... | 1703.06366v1 |
2017-07-25 | Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels | Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes
excess irradiation embrittlement of reactor pressure vessel (RPV) steels at
high, extended-life fluences. Thus, a new and unique, semi-empirical cluster
dynamics model was developed to study the evolution of MNSPs in low- Cu RPV
steels. The mod... | 1707.08072v1 |
2017-07-28 | Predictive modeling of solidification during laser additive manufacturing of nickel superalloys: Recent developments, future directions | Additive manufacturing (AM) processes produce parts with improved physical,
chemical, and mechanical properties compared to conventional manufacturing
processes. In AM processes, intricate part geometries are produced from
multicomponent alloy powder, in a layer-by-layer fashion with multipass laser
melting, solidifica... | 1707.09292v4 |
2017-08-20 | Si-based GeSn lasers with wavelength coverage of 2 to 3 μm and operating temperatures up to 180 K | A Si-based monolithic laser is highly desirable for full integration of
Si-photonics. Lasing from direct bandgap group-IV GeSn alloy has opened a
completely new venue from the traditional III-V integration approach. We
demonstrated optically pumped GeSn lasers on Si with broad wavelength coverage
from 2 to 3 {\mu}m. Th... | 1708.05927v1 |
2017-08-23 | Physical properties of the tetragonal CuMnAs: a first-principles study | Electronic, magnetic, and transport properties of the antiferromagnetic (AFM)
CuMnAs alloy with tetragonal structure, promising for the AFM spintronics, are
studied from first principles using the Vienna ab-initio simulation package. We
investigate the site-occupation of sublattices and the lattice parameters of
three ... | 1708.06916v1 |
2017-08-25 | Ab initio Modelling of the Early Stages of Precipitation in Al-6000 Alloys | Age hardening induced by the formation of (semi)-coherent precipitate phases
is crucial for the processing and final properties of the widely used Al-6000
alloys. Early stages of precipitation are particularly important from the
fundamental and technological side, but are still far from being fully
understood. Here, an... | 1708.07908v1 |
2017-08-29 | Mapping the band structure of GeSbTe phase change alloys around the Fermi level | Phase change alloys are used for non-volatile random access memories
exploiting the conductivity contrast between amorphous and metastable,
crystalline phase. However, this contrast has never been directly related to
the electronic band structure. Here, we employ photoelectron spectroscopy to
map the relevant bands for... | 1708.08787v2 |
2017-09-14 | Increased stability of CuZrAl metallic glasses prepared by physical vapor deposition | We carried out molecular dynamics simulations (MD) using realistic empirical
potentials for the vapor deposition (VD) of CuZrAl glasses. VD glasses have
higher densities and lower potential and inherent structure energies than the
melt-quenched glasses for the same alloys. The optimal substrate temperature
for the depo... | 1709.04797v1 |
2017-09-15 | Tailoring Semiconductor Lateral Multi-junctions for Giant Photoconductivity Enhancement | Semiconductor heterostructures have played a critical role as the enabler for
new science and technology. The emergence of transition metal dichalcogenides
(TMDs) as atomically thin semiconductors has opened new frontiers in
semiconductor heterostructures either by stacking different TMDs to form
vertical heterojunctio... | 1709.05410v1 |
2017-09-18 | Magnetic field driven enhanced ferroelectric switching in self-grown ferroelectric-ferromagnetic composite in the BiFeO3-BaTiO3 multiferroic alloy system | Over the years attempts have been made to compensate for the inherent
weaknesses in the bulk state of the multiferroic BiFeO3, such as high leakage
current and the absence of ferromagnetic correlation, and exploit its
magnetoelectric potential by forming solid solutions with other perovskites.
Studies in the recent few... | 1709.05898v1 |
2017-10-31 | Applied Machine Learning to Predict Stress Hotspots I: Face Centered Cubic Materials | We investigate the formation of stress hotspots in polycrystalline materials
under uniaxial tensile deformation by integrating full field crystal plasticity
based deformation models and machine learning techniques to gain data driven
insights about microstructural properties. Synthetic 3D microstructures are
created re... | 1711.00118v4 |
2017-11-16 | Strain gradient plasticity-based modeling of hydrogen environment assisted cracking | Finite element analysis of stress about a blunt crack tip, emphasizing finite
strain and phenomenological and mechanism-based strain gradient plasticity
(SGP) formulations, is integrated with electrochemical assessment of
occluded-crack tip hydrogen (H) solubility and two H-decohesion models to
predict hydrogen environ... | 1711.06179v1 |
2017-11-22 | Interband absorption edge in topological insulators Bi$_2$(Te$_{1-x}$Se$_x$)$_3$ | We have investigated the optical properties of thin films of topological
insulators Bi$_{2}$Te$_{3}$, Bi$_{2}$Se$_{3}$ and their alloys
Bi$_2$(Te$_{1-x}$Se$_x$)$_3$ on BaF$_{2}$ substrates by a combination of
infrared ellipsometry and reflectivity in the energy range from 0.06 to 6.5 eV.
For the onset of interband abso... | 1711.08177v1 |
2017-12-05 | Influence of deformation and annealing twinning on the microstructure and texture evolution of face-centered cubic high-entropy alloys | The influence of the physical mechanisms activated during deformation and
annealing on the microstructure and texture evolution as well as on the
mechanical properties in the equiatomic CoCrFeMnNi high-entropy alloy (HEA)
were investigated. A combination of cold rolling and annealing was used to
investigate the HEA in ... | 1712.01627v1 |
2017-12-04 | Effect of FePd alloy composition on the dynamics of artificial spin ice | Artificial spin ices (ASI) are arrays of single domain nano-magnetic islands,
arranged in geometries that give rise to frustrated magnetostatic interactions.
It is possible to reach their ground state via thermal annealing. We have made
square ASI using different FePd alloys to vary the magnetization via
co-sputtering.... | 1712.02404v1 |
2017-11-21 | Nanofeatures Induced by Severe Shot Peening (SSP) on Magnesium Alloy AZ31 | Considering the sensitivity of both fatigue strength and corrosion rate to
the surface characteristics, apposite surface treatments could address the
related challenges for biodegradable magnesium-based materials. Herein, we
treated the surface of a biocompatible magnesium alloy by a low cost and
versatile severe plast... | 1712.02834v1 |
2018-01-08 | Interstitial-mediated dislocation climb and the weakening of particle-reinforced alloys under irradiation | Dislocations can climb out of their glide plane by absorbing (or emitting)
point defects (vacancies and self-interstitial atoms (SIAs)). In contrast with
conservative glide motion, climb relies on the point defects' thermal diffusion
and hence operates on much longer timescales, leading to some forms of creep.
Whilst e... | 1801.02535v1 |
2018-05-25 | Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles | In this work we propose a method for the structural relaxation of magnetic
materials in the paramagnetic regime, in an adiabatic fast-magnetism
approximation within the disordered local moment (DLM) picture in the framework
of density functional theory (DFT). The method is straight forward to implement
using any $ab$ $... | 1805.10110v1 |
2018-05-30 | The evolution of precipitate crystal structures in an Al-Mg-Si(-Cu) alloy studied by a combined HAADF-STEM and SPED approach | This work presents a detailed investigation into the effect of a low Cu
addition (0.01 at.%) on precipitation in an Al-0.80Mg-0.85Si alloy during
ageing. The precipitate crystal structures were assessed by scanning
transmission electron microscopy combined with a novel scanning precession
electron diffraction approach,... | 1805.11910v1 |
2018-05-30 | Strong spin-Hall and Nernst effects in a p-band semimetal | Since spin currents can be generated, detected, and manipulated via the spin
Hall effect (SHE), the design of strong SHE materials has become a focus in the
field of spintronics. Because of the recent experimental progress also the spin
Nernst effect (SNE), the thermoelectrical counterpart of the SHE, has attracted
muc... | 1805.12049v1 |
2018-06-20 | Atomic level structure of Ge-Sb-S glasses: chemical short range order and long Sb-S bonds | The structure of Ge$_{20}$Sb$_{10}$S$_{70}$, Ge$_{23}$Sb$_{12}$S$_{65}$ and
Ge$_{26}$Sb$_{13}$S$_{61}$ glasses was investigated by neutron diffraction
(ND), X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS)
measurements at the Ge and Sb K-edges as well as Raman scattering. For each
composition, ... | 1806.07852v1 |
2018-06-27 | Accelerating high-throughput searches for new alloys with active learning of interatomic potentials | We propose an approach to materials prediction that uses a machine-learning
interatomic potential to approximate quantum-mechanical energies and an active
learning algorithm for the automatic selection of an optimal training dataset.
Our approach significantly reduces the amount of DFT calculations needed,
resorting to... | 1806.10567v1 |
2018-09-01 | Nucleation instability in super-cooled Cu-Zr-Al glass-forming liquids | Special role in computer simulations of supercooled liquid and glasses is
played by few general models representing certain classes of real glass-forming
systems. Recently, it was shown that one of the most widely used model
glassformers -- Kob-Andersen binary Lennard-Jones mixture -- crystalizes in
quite lengthy molec... | 1809.00198v1 |
2018-09-10 | Diffusion of Mn in gallium nitride: Experiment and modelling | The control over the structural homogeneity is of paramount importance for
ternary nitride compounds - the second most important semiconducting
material-class after Si, due to its unrivalled applicability in
optoelectronics, and high power/high frequency electronics. Therefore it is
timely to investigate possible mecha... | 1809.03247v1 |
2018-08-29 | Helium-Implantation-Induced Lattice Strains and Defects in Tungsten probed by X-ray Micro-diffraction | Tungsten is the main candidate material for plasma-facing armour components
in future fusion reactors. Bombardment with energetic fusion neutrons causes
collision cascade damage and defect formation. Interaction of defects with
helium, produced by transmutation and injected from the plasma, modifies defect
retention an... | 1811.05412v2 |
2019-11-06 | A Domain-Specific Language for Verifying Software Requirement Constraints | Software requirement analysis can certainly benefit from prevention and early
detection of failures, in particular by some kind of automatic analysis. Formal
methods offer means to represent and analyze requirements with rigorous tools,
avoiding ambiguities and allowing automatic verification of requirement
consistency... | 1911.02679v1 |
2019-11-11 | Mechanical properties of VMoNO as a function of oxygen concentration: toward development of hard and tough refractory oxynitrides | Improved toughness is a central goal in the development of wear-resistant
refractory ceramic coatings. Extensive theoretical and experimental research
has revealed that NaCl structure VMoN alloys exhibit surprisingly high
ductility combined with high hardness and toughness. However, during operation,
protective coating... | 1911.04165v1 |
2019-11-13 | Enhancement of Photovoltaic Current Generation through Dark States in Donor-Acceptor Pairs of Tungsten-based Transition Metal Di-Chalcogenides (TMDCs) | As several photovoltaic materials experimentally approach the
Shockley-Queisser limit, there has been a growing interest in unconventional
materials and approaches with the potential to cross this efficiency barrier.
One such candidate is dark state protection induced by the dipole-dipole
interaction between molecular ... | 1911.05711v1 |
2019-11-21 | Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering | We explore the possibilities and limitations of using a coherent second phase
to engineer the thermo-mechanical properties of a martensitic alloy by
modifying the underlying free energy landscape that controls the
transformation. We use molecular dynamics simulations of a model atomistic
system where the properties of ... | 1911.09542v3 |
2020-01-17 | Magnetic, magnetoelastic and corrosion resistant properties of (Fe-Ni) based metallic glasses for structural health monitoring applications | We have performed a study of the magnetic, magnetoelastic, and corrosion
resistance properties of seven different composition magnetoelastic-resonant
platforms. For some applications, such as structural health monitoring, these
materials must have not only good magnetomechanical properties, but also a high
corrosion re... | 2001.06283v1 |
2021-07-02 | Atomic Pathways of Solute Segregation in the Vicinity of Nanoscale Defects | This work unravels the atomic details of the interaction of solute atoms with
nanoscale crystalline defects. The complexity of this phenomenon is elucidated
through detailed atom probe tomographic investigations on epitaxially-strained,
compositionally metastable, semiconductor alloys. Subtle variations are
uncovered i... | 2107.00800v1 |
2021-07-14 | Halide mixing inhibits exciton transport in two-dimensional perovskites despite phase purity | Metal-halide perovskites are a versatile material platform for
light-harvesting and light-emitting applications as their variable chemical
composition allows the optoelectronic properties to be tailored to specific
applications. Halide mixing is one of the most powerful techniques to tune the
optical bandgap of metal-h... | 2107.06560v1 |
2021-07-23 | Intermixing Induced Anisotropy Variations in CoB-based Chiral Multilayer Films | We examine the atomic intermixing phenomenon in three distinct amorphous
CoB-based multilayer thin film platforms - Pt/CoB/Ir, Ir/CoB/Pt and Pt/CoB/MgO
- which are shown to stabilise room-temperature chiral magnetic textures.
Intermixing occurs predominantly between adjacent metallic layers. Notably, it
is stack-order ... | 2107.11034v1 |
2021-07-28 | First principles prediction of the Al-Li phase diagram | The phase diagram of the Al-Li system was determined by means of first
principles calculations in combination with the cluster expansion formalism and
statistical mechanics. The ground state phases were determined from first
principles calculations of fcc and bcc configurations in the whole
compositional range while th... | 2107.13645v1 |
2017-04-08 | Thermal memory fading by heating to a lower temperature: experimental data on polycrystalline NiFeGa ribbons and 2D statistical model predictions | Shape memory alloys are known to memorise one -or several- temperatures at
which the martensite-austenite transformation was stopped before completion in
the past, the memory manifesting as specific dips in subsequent calorimetric
scans. Previous studies have shown that this memory can be erased by heating to
higher te... | 1704.02443v1 |
2017-04-18 | Extruded Mg based hybrid composite alloys studied by longitudinal impression creep | The creep behaviour of a creep-resistant AE42 magnesium alloy reinforced with
Saffil short fibres and SiC particulates in various combinations has been
examined in the longitudinal direction, i.e., the plane containing random fibre
orientation was parallel to the loading direction, in the temperature range of
175-300 C... | 1704.06563v2 |
2018-07-16 | Nematicity of correlated systems driven by anisotropic chemical phase separation | The origin of nematicity, i.e., in-plane rotational symmetry breaking, and in
particular the relative role played by spontaneous unidirectional ordering of
spin, orbital, or charge degrees of freedom, is a challenging issue of
magnetism, unconventional superconductivity, and quantum Hall effect systems,
discussed in th... | 1807.05966v3 |
2018-07-29 | Dynamic control of anapole states with phase-change alloys | High-index dielectric nanoparticles supporting a distinct series of Mie
resonances have enabled a new class of optical antennas with unprecedented
functionalities. The great wealth of multipolar responses and their delicate
interplay have not only spurred practical developments but also brought new
insight into fundame... | 1807.11015v1 |
2018-10-10 | A Machine Learning Approach for Increased Throughput of Density Functional Theory Substitutional Alloy Studies | In this study, a machine learning-based technique is developed to reduce the
computational cost required to explore large design spaces of substitutional
alloys. The first advancement is based on a neural network approach to predict
the initial position of ions for both minority and majority ions before ion
relaxation.... | 1810.04687v3 |
2018-10-25 | Exchange dependent ultrafast magnetization dynamics in Fe$_{1-x}$Ni$_{x}$ alloys | Element specific ultrafast demagnetization was studied in Fe$_{1-x}$Ni$_{x}$
alloys, covering the concentration range between $0.1<x<0.9$. For all
compositions, we observe a delay in the onset of Ni demagnetization relative to
the Fe demagnetization. We find that the delay is correlated to the Curie
temperature and hen... | 1810.11001v1 |
2018-10-30 | Computational methods for creation materials with required composition and structure | One of the most important and complicated problems in modern industry is to
obtaining materials with the required chemical composition, structure and
mechanical and physical properties. Solving this problem involves great deal of
time and expense, and the results obtained might be far from the optimal
solution. The are... | 1810.12534v1 |
2018-10-30 | CLEASE: A versatile and user-friendly implementation of Cluster Expansion method | Materials exhibiting a substitutional disorder such as multicomponent alloys
and mixed metal oxides/oxyfluorides are of great importance in many scientific
and technological sectors. Disordered materials constitute an overwhelmingly
large configurational space, which makes it practically impossible to be
explored manua... | 1810.12816v2 |
2019-01-03 | Calculating spin transport properties from first principles: spin currents | Local charge and spin currents are evaluated from the solutions of fully
relativistic quantum mechanical scattering calculations for systems that
include temperature-induced lattice and spin disorder as well as intrinsic
alloy disorder. This makes it possible to determine material-specific spin
transport parameters at ... | 1901.00703v1 |
2019-01-09 | Epitaxial phases of high Bi content GaSbBi alloys | GaSbBi alloys have recently emerged as attractive materials for mid-infrared
optoelectronics owing to strong band gap reduction enabled by Bi incorporation
into the GaSb matrix. The fundamental understanding of the epitaxial process
required to demonstrate high quality crystals is in an early-developmental
phase. From ... | 1901.02687v1 |
2019-01-28 | Strong damping-like spin-orbit torque and tunable Dzyaloshinskii-Moriya interaction generated by low-resistivity Pd$_{1-x}$Pt$_x$ alloys | Despite their great promise for providing a pathway for very efficient and
fast manipulation of magnetization at the nanoscale, spin-orbit torque (SOT)
operations are currently energy inefficient due to a low damping-like SOT
efficiency per unit current bias, and/or the very high resistivity of the spin
Hall materials.... | 1901.09954v1 |
2019-01-29 | Broken time-reversal symmetry in superconducting Pr$_{1-x}$La$_{x}$Pt$_{4}$Ge$_{12}$ | The superconducting state of the filled skutterudite alloy series
Pr$_{1-x}$La$_{x}$Pt$_{4}$Ge$_{12}$ has been systematically studied by specific
heat, zero-field muon spin relaxation ($\mu$SR), and superconducting critical
field measurements. An additional inhomogeneous local magnetic field,
indicative of broken time-... | 1901.10224v1 |
2019-03-30 | Electronic band structure of nitrogen diluted Ga(PAsN): Formation of the intermediate band, direct and indirect optical transitions, localization of states | The electronic band structure of Ga(PAsN) with a few percent of nitrogen is
calculated in the whole composition of Ga(PAs) host using the state-of-the-art
density functional methods including the modified Becke-Johnson functional to
correctly reproduce the band gap, and band unfolding to reveal the character of
the ban... | 1904.00159v1 |
2019-04-10 | Phonon localization in binary alloys with diagonal and off-diagonal disorder: A cluster Green's function approach | We report the development and application of a new method for carrying out
computational investigations of the effects of mass and force-constant (FC)
disorder on phonon spectra. The method is based on the recently developed
typical medium dynamical cluster approach (TMDCA), which is a Green's function
approach. Excell... | 1904.05324v2 |
2019-04-19 | Crystal plasticity analysis of deformation anisotropy of lamellar TiAl alloy: 3D microstructure-based modelling and in-situ micro-compression | Detailed microstructure characterisation and in-situ micropillar compression
were coupled with crystal plasticity-based finite element modelling (CP-FEM) to
study the micro-mechanisms of plastic anisotropy in lamellar TiAl alloys. The
consideration of microstructure in both simulation and in-situ experiments
enables in... | 1904.09206v1 |
2019-04-21 | Flux effects in precipitation under irradiation - Simulation of Fe-Cr alloys | Radiation-enhanced precipitation of Cr-rich {\alpha}' in irradiated Fe-Cr
alloys, which results in hardening and embrittlement, depends on the
irradiating particle and the displacement per atom (dpa) rate. Here, we utilize
a Cahn-Hilliard phase-field based approach, that includes simple models for
nucleation, irradiati... | 1904.09682v1 |
2019-07-04 | Splitting up entropy into vibrational and configurational contributions in bulk metallic glasses: A thermodynamic approach | We applied an efficient methodology to separate vibrational and
configurational entropies in bulk metallic glasses by means of molecular
dynamics simulation based on a combination of non-equilibrium adiabatic
switching and reversible scaling methods. This approach involves calculating
the vibrational free energy using ... | 1907.02611v5 |
2019-07-15 | Current-driven domain wall dynamics in ferrimagnets: micromagnetic approach and collective coordinates model | Theoretical studies dealing with current-driven domain wall dynamics in
ferrimagnetic alloys and, by extension, other antiferromagnetically coupled
systems as some multilayers, are here presented. The analysis has been made by
means of micromagnetic simulations that consider these systems as constituted
by two subsyste... | 1907.06431v1 |
2019-07-15 | Nature of the magnetic moment of cobalt in ordered FeCo alloy | The magnets are typically classified into Stoner and Heisenberg type,
depending on the itinerant or localized nature of the constituent magnetic
moments. In this work, we investigate theoretically the behaviour of the
magnetic moments of iron and cobalt in their B2-ordered alloy. The results
based on local spin density... | 1907.06613v5 |
2019-07-16 | Robust surface states and coherence phenomena in magnetically alloyed SmB6 | Samarium hexaboride is a candidate for the topological Kondo insulator state,
in which Kondo coherence is predicted to give rise to an insulating gap spanned
by topological surface states. Here we investigate the surface and bulk
electronic properties of magnetically alloyed Sm1-xMxB6 (M=Ce, Eu), using
angle-resolved p... | 1907.07074v3 |
2019-07-23 | Plate-like precipitate effects on plasticity of Al-Cu alloys at micrometer to submicrometer scales | The continuous miniaturization of modern electromechanical systems calls for
a comprehensive understanding of the mechanical properties of metallic
materials specific to micrometer and sub-micrometer scales. At these scales,
the nature of dislocation-mediated plasticity changes radically: sub-micrometer
metallic sample... | 1907.09818v2 |
2019-07-24 | Thermoelectric Properties of BiSbTe Alloy Nanofilms Produced by DC Sputtering: Experiments and Modeling | Thermoelectricity refers to the conversion of thermal energy into electrical
energy and vice-versa, which relies on three main effects: Seebeck, Peltier and
Thomson, all of which are manifestations of heat and electricity flow. In this
work we investigate the deposition of nanometric films and the effect of a
thermal t... | 1907.10730v1 |
2019-07-26 | Plate-like precipitate effects on plasticity of Al-Cu micro-pillar: {100}-interfacial slip | In this paper, we study the effects of $\theta ^\prime$-Al$_2$Cu plate-like
precipitates on the plasticity of Al-Cu micro-pillars, with a sample size
allowing the precipitates to cross the entire micro-pillar. {100}-slip traces
are identified for the first time in Al and Al alloys at room temperature. We
investigate th... | 1907.11390v1 |
2019-10-18 | Pressure effects on the electronic structure and superconductivity of (TaNb)$_{0.67}$(HfZrTi)$_{0.33}$ high entropy alloy | Effects of pressure on the electronic structure, electron-phonon interaction,
and superconductivity of the high entropy alloy
(TaNb)$_{0.67}$(HfZrTi)$_{0.33}$ are studied in the pressure range 0 - 100 GPa.
The electronic structure is calculated using the Korringa-Kohn-Rostoker method
with the coherent potential approxi... | 1910.08312v1 |
2019-10-24 | Segregation and Preferential Sputtering of Cr in WCrY Smart Alloy | The temperature driven segregation of Cr to the surface of the tungsten-based
WCrY alloy is analysed with low energy ion scattering of He+ ions with an
energy of 1 keV in the temperature range from room temperature to 1000 K. Due
to the high surface sensitivity, these measurements probe only the composition
of the oute... | 1910.11234v2 |
2019-10-29 | Direct Optical-Structure Correlation in Atomically Thin Dichalcogenides and Heterostructures | Atomically thin transition metal dichalcogenides (TMDs) have distinct
opto-electronic properties including enhanced luminescence and high on-off
current ratios, which can be further modulated by making more complex TMD
heterostructures. However, resolution limits of conventional optical methods do
not allow for direct ... | 1910.13387v1 |
2018-08-14 | Artificial Intelligence for High-Throughput Discovery of Topological Insulators: the Example of Alloyed Tetradymites | Significant advances have been made in predicting new topological materials
using high-throughput empirical descriptors or symmetry-based indicators. To
date, these approaches have been applied to materials in existing databases,
and are severely limited to systems with well-defined symmetries, leaving a
much larger ma... | 1808.04733v4 |
2018-08-16 | A disclosure of the role of frequency on the plasma electrolytic oxidation of AZ31 magnesium alloy in aluminate-tungstate electrolyte | Plasma electrolytic oxidation (PEO) was carried out to form black ceramic
coatings on AZ31 magnesium alloy in aluminate-tungstate electrolyte. Influences
of current frequency (such as 100, 1000 and 2000 Hz) on properties of the PEO
coatings have been explored. It was found that increment of frequency led to
coatings wi... | 1808.06587v1 |
2018-08-10 | Parametric Analysis of a Phenomenological Constitutive Model for Thermally Induced Phase Transformation in Ni-Ti Shape Memory Alloys | In this work, a thermo-mechanical model that predicts the actuation response
of shape memory alloys is probabilistically calibrated against three
experimental data sets simultaneously. Before calibration, a design of
experiments (DOE) has been performed in order to identify the parameters most
influential on the actuat... | 1808.07377v1 |
2018-12-11 | Phase-field analysis of quenching and partitioning in a polycrystalline Fe-C system under constrained-carbon equilibrium condition | Mechanical properties of steels are significantly enhanced by retained
austenite. Particularly, it has been shown that a recently developed
heat-treatment technique called Quenching and Partitioning (Q\&P) stabilises
austenite effectively. In the present work, the phase-field approach is adopted
to simulate the phase t... | 1812.04306v1 |
2018-12-13 | A Finite Strain Constitutive Model for Martensitic Transformation in Shape Memory Alloys Based on Logarithmic Strain | Shape Memory Alloys (SMAs) are materials with the ability to recover
apparently permanent deformation under specific thermomechanical loading. The
majority of constitutive models for SMAs are developed based on the
infinitesimal strain theory. However, such assumption may not be proper in the
presence of geometric disc... | 1812.05696v1 |
2018-12-13 | A Three-dimensional Constitutive Model for Polycrystalline Shape Memory Alloys Under Large Strains Combined With Large Rotations | Shape Memory Alloys (SMAs) has been widely aware of working as actuators for
active/smart morphing structures in the engineering industry. Because of the
high actuation energy density of SMAs, compared to other active materials,
structures integrated with SMA-based actuators has high advantage in terms of
trade-offs be... | 1812.05700v2 |
2018-12-17 | Excitonic Complexes and Emerging Interlayer Electron-Phonon Coupling in BN Encapsulated Monolayer Semiconductor Alloy: WS0.6Se1.4 | Monolayer transition metal dichalcogenides (TMDs) possess superior optical
properties, including the valley degree of freedom that can be accessed through
the excitation light of certain helicity. While WS2 and WSe2 are known for
their excellent valley polarization due to the strong spin-orbit coupling, the
optical ban... | 1812.06758v1 |
2018-12-13 | A Three-Dimensional Constitutive Modeling for Shape Memory Alloys Considering Two-Way Shape Memory Effect and Transformation-Induced Plasticity | Shape memory alloys (SMAs) have been intensively investigated as actuators
for the past several decades. Due to their high actuation energy density
compared to other active materials, their current and potential applications in
engineering fields are expanding rapidly. Prior to being used as actuators,
SMAs are usually... | 1812.10466v1 |
2019-02-13 | Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy | A catalyst surface may be exposed to strain due to application of load or
interfacing with a substrate with large lattice mismatch. In order to test the
effect of strain on catalytic efficiency, we use Density Functional Theory +U
(DFT+U) to model water oxidation on expanded and contracted surfaces of the
Ni1-xFexOOH a... | 1902.04788v1 |
2019-02-25 | Atomistic Simulations of Basal Dislocations Interacting with Mg$_{17}$Al$_{12}$ Precipitates in Mg | The mechanical properties of Mg-Al alloys are greatly influenced by the
complex intermetallic phase Mg$_{17}$Al$_{12}$, which is the most dominant
precipitate found in this alloy system. The interaction of basal edge and
30$^\text{o}$ dislocations with Mg$_{17}$Al$_{12}$ precipitates is studied by
molecular dynamics an... | 1902.09446v2 |
2019-06-06 | Novel Mechanocaloric Materials for Solid-State Cooling Applications | Solid-state cooling is an environmentally friendly and highly scalable
technology that may solve most of the problems associated with current
refrigerant methods. Solid-state cooling consists of applying external fields
on caloric materials, which react thermally as a result of induced phase
transformations. From an en... | 1906.02363v1 |
2019-06-17 | Sub-single exciton optical gain threshold in colloidal semiconductor quantum wells with gradient alloy shelling | Colloidal semiconductor quantum wells have emerged as a promising material
platform for use in solution-processable light-generation including colloidal
lasers. However, application relying on their optical gain suffer from a
fundamental complication due to multi-excitonic nature of light amplification
in common II-VI ... | 1906.06913v1 |
2020-04-09 | Efficient determination of solid-state phase equilibrium with the Mutli-Cell Monte Carlo method | Building on our previously introduced Multi-cell Monte Carlo (MC)^2 method
for modeling phase coexistence, this paper provides important improvements for
efficient determination of phase equilibria in solids. The (MC)^2 method uses
multiple cells, representing possible phases. Mass transfer between cells is
modeled vir... | 2004.04673v2 |
2020-05-15 | Doping-induced spin Hall ratio enhancement in A15-phase, Ta-doped Beta-W thin films | As spintronic devices become more and more prevalent, the desire to find Pt
free materials with large spin Hall effects is increasing. Previously it was
shown that Beta W, the metastable A15 structured variant of pure W, has
charge-spin conversion efficiencies on par with Pt, and it was predicted that
Beta W(Ta) alloys... | 2005.07681v2 |
2020-05-29 | Single-Atom Alloy Catalysts Designed by First-Principles Calculations and Artificial Intelligence | Single-atom metal alloy catalysts (SAACs) have recently become a very active
new frontier in catalysis research. The simultaneous optimization of both
facile dissociation of reactants and a balanced strength of intermediates'
binding make them highly efficient and selective for many industrially
important reactions. Ho... | 2005.14422v1 |
2020-08-03 | Solute hydrogen and deuterium observed at the near atomic scale in high-strength steel | Observing solute hydrogen (H) in matter is a formidable challenge, yet,
enabling quantitative imaging of H at the atomic-scale is critical to
understand its deleterious influence on the mechanical strength of many
metallic alloys that has resulted in many catastrophic failures of engineering
parts and structures. Here,... | 2008.00684v1 |
2020-08-07 | Monolithic integration of InP on Si by molten alloy driven selective area epitaxial growth | We report a new approach for monolithic integration of III-V materials into
silicon, based on selective area growth and driven by a molten alloy in
metal-organic vapor epitaxy. Our method includes elements of both selective
area and droplet-mediated growths and combines the advantages of the two
techniques. Using this ... | 2008.03054v1 |
2020-08-12 | Metastable skyrmion lattices governed by magnetic disorder and anisotropy in $β$-Mn-type chiral magnets | Magnetic skyrmions are vortex-like topological spin textures often observed
in structurally chiral magnets with Dzyaloshinskii-Moriya interaction. Among
them, Co-Zn-Mn alloys with a $\beta$-Mn-type chiral structure host skyrmions
above room temperature. In this system, it has recently been found that
skyrmions persist ... | 2008.05075v1 |
2020-08-20 | Ensemble learning reveals dissimilarity between rare-earth transition metal binary alloys with respect to the Curie temperature | We propose a data-driven method to extract dissimilarity between materials,
with respect to a given target physical property. The technique is based on an
ensemble method with Kernel ridge regression as the predicting model; multiple
random subset sampling of the materials is done to generate prediction models
and the ... | 2008.08818v1 |
2020-08-28 | Composition dependence of tracer diffusion coefficients in Fe-Ga alloys: a case study by a tracer-interdiffusion couple method | The problem of estimation of the tracer diffusion coefficients is solved by
utilizing a novel tracer-interdiffusion couple technique even in the absence
suitable radioisotope of one of the components and absence of reliable
thermodynamic parameters. This is demonstrated by generating reliable and
reproducible mobility ... | 2008.12533v1 |
2021-02-28 | Accelerated design of linear-superelastic Ti-Nb nanocomposite alloys with ultralow modulus via high-throughput phase-field simulations and machine learning | The controlled design of martensitic transformation (MT) to achieve specific
properties is crucial for the innovative application of shape memory alloys
(SMAs) in advanced technologies. Herein, we explore and design the MT behaviors
and the mechanical properties of Ti-Nb nanocomposites by combining
high-throughput phas... | 2103.00513v4 |
2021-03-02 | Reflections on the spatial performance of atom probe tomography in the analysis of atomic neighbourhoods | Atom probe tomography is often introduced as providing "atomic-scale" mapping
of the composition of materials and as such is often exploited to analyse
atomic neighbourhoods within a material. Yet quantifying the actual spatial
performance of the technique in a general case remains challenging, as they
depend on the ma... | 2103.01665v2 |
2021-03-04 | Photo-emission signatures of coherence breakdown in Kondo alloys: dynamical mean-field theory approach | We study the Kondo alloy model on a square lattice using dynamical mean-field
theory (DMFT) for Kondo substitution and disorder effects, together with static
mean-field approximations. We computed and analyzed photoemission properties as
a function of electronic filling $n_c$, Kondo impurity concentration $x$, and
stre... | 2103.03182v2 |
2021-03-05 | Ferromagnetic Composite Self-Arrangement in Iron-Implanted Epitaxial Palladium Thin Films | We report on the formation of the dilute $Pd_{1-x}Fe_x$ compositions with
tunable magnetic properties under an ion-beam implantation of epitaxial Pd thin
films. Binary $Pd_{1-x}Fe_x$ alloys with a mean iron content $x$ of $0.025$,
$0.035$ or $0.075$ were obtained by the implantation of $40 keV$ $Fe^+$ ions
into the pal... | 2103.03562v1 |
2021-03-05 | A Hybrid Dynamical Modeling Framework for Shape Memory Alloy Wire Actuated Structures | In this paper, a hybrid model for single-crystal Shape Memory Alloy (SMA)
wire actuators is presented. The result is based on a mathematical
reformulation of the M\"uller-Achenbach-Seelecke (MAS) model, which provides an
accurate and interconnection-oriented description of the SMA hysteretic
response. The strong nonlin... | 2103.03586v1 |
2021-03-09 | Ultrafast demagnetization in a ferrimagnet under electromagnetic field funneling | The quest to improve density, speed and energy efficiency of magnetic memory
storage has led to exploration of new ways of optically manipulating magnetism
at the ultrafast time scale, in particular in ferrimagnetic alloys. While
all-optical magnetization switching is well-established on the femtosecond
timescale, late... | 2103.05365v1 |
2021-03-10 | The Taming of Plutonium: Pu Metallurgy and the Manhattan Project | We describe the wartime challenges associated with the rapid developments in
plutonium chemistry and metallurgy that were necessary to produce the core of
the Trinity Device. Beginning with microgram quantities of plutonium metal late
in 1943, initial measurements showed a wide and confusing variance in density
and oth... | 2103.06226v1 |
2021-03-16 | Wegner estimate and localisation for alloy type operators with minimal support assumptions on the single site potential | We prove a Wegner estimate for alloy type models merely assuming that the
single site potential is lower bounded by a characteristic function of a thick
set, that is a particular set of positive measure. The proof is based on two
ingredients: New unique continuation principles or uncertainty relations for
linear combin... | 2103.09012v3 |
2021-03-25 | Properties of α-Brass Nanoparticles II: Structure and Composition | Nanoparticles have become increasingly interesting for a wide range of
applications, because in principle it is possible to tailor their properties by
controlling size, shape and composition. One of these applications is
heterogeneous catalysis, and a fundamental understanding of the structural
details of the nanoparti... | 2103.14130v2 |
2021-03-26 | Enhanced Thermoelectric Performance of Polycrystalline Si0.8Ge0.2 Alloys through the Addition of Nanoscale Porosity | Engineering materials to include nanoscale porosity or other nanoscale
structures has become a well-established strategy for enhancing the
thermoelectric performance of dielectrics. However, the approach is only
considered beneficial for materials where the intrinsic phonon mean-free path
is much longer than that of th... | 2103.14223v2 |
2021-03-30 | Soft X-ray absorption spectroscopy and magnetic circular dichroism under pulsed high magnetic field of Ni-Co-Mn-In metamagnetic shape memory alloy | In this study, X-ray absorption spectroscopy (XAS) experiments for
Ni45Co5Mn36.7In13.3 metamagnetic shape memory alloy were performed under high
magnetic fields up to 12 T using a pulsed magnet. Field-induced reverse
transformation to austenite phase caused considerable changes in the magnetic
circular dichroism (MCD) ... | 2103.16296v3 |
2021-03-30 | Segregation competition and complexion coexistence within a polycrystalline grain boundary network | Interfacial segregation can stabilize grain structures and even lead to grain
boundary complexion transitions. However, understanding of the complexity of
such phenomena in polycrystalline materials is limited, as most studies focus
on bicrystal geometries. In this work, we investigate interfacial segregation
and subse... | 2103.16678v2 |
2022-02-07 | Locally Random Alloy Codes with Channel Coding Theorems for Distributed Matrix Multiplication | Matrix multiplication is a fundamental operation in machine learning and is
commonly distributed into multiple parallel tasks for large datasets.
Stragglers and other failures can severely impact the overall completion time.
Recent works in coded computing provide a novel strategy to mitigate stragglers
with coded task... | 2202.03469v5 |
2022-03-04 | Machine-learning enabled thermodynamic model for the design of new rare-earth compounds | We employ a descriptor based machine-learning approach to assess the effect
of chemical alloying on formation-enthalpy of rare-earth intermetallics.
Application of machine-learning approaches in rare-earth intermetallic design
have been sparse due to limited availability of reliable datasets. In this
work, we developed... | 2203.02391v1 |
2022-03-07 | Multi-scale Investigation of Chemical Short-Range Order and Dislocation Glide in the MoNbTi and TaNbTi Refractory Multi-Principal Element Alloys | Refractory multi-principal element alloys (RMPEAs) are promising materials
for high-temperature structural applications. Here, we investigate the role of
chemical short-range ordering (CSRO) on dislocation glide in two model RMPEAs -
TaNbTi and MoNbTi - using a multi-scale modeling approach. A highly accurate
machine l... | 2203.03767v1 |
2022-03-08 | Electronic effects on the radiation damage in high-entropy alloys | High-entropy alloys (HEAs) are exceptional candidates for radiation-resistant
materials due to their complex local chemical environment and slow defect
migration. Despite commonly overlooked, electronic effects on defects evolution
in radiation environments also play a crucial role by dissipating excess energy
through ... | 2203.03779v2 |
2022-03-16 | Effect of hydrogen gas on magnetic properties of alloys of ferromagnetic metals with Pd and its application in hydrogen gas sensing | The mass-production of fuel-cell vehicles and the eventual transition to the
hydrogen economy will require safe, inexpensive and reliable sensors capable of
simultaneously detecting low concentrations of leaking hydrogen and measuring
broad ranges of hydrogen concentration in storage and energy generating
systems. Alth... | 2203.08575v1 |
2016-03-30 | Evidence of quantum Griffiths phase in Ni_{1-x}V_x nanoalloys | Metallic Ni$_{1-x}$V$_x$ alloys are known to exhibit a ferromagnetic to
paramagnetic disordered quantum phase transition (QPT) at the critical
concentration $x_c \sim$ 0.114 in bulk. Such a QPT is accompanied by a quantum
Griffiths phase (QGP), the physical observables in which follow non-universal
power-law temperatur... | 1603.09034v1 |
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