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2020-03-12 | Temperature and Rate Dependent Constitutive Behaviors of Low Melt Field's Metal | Low melting point metals such as Field's metal and gallium are increasingly
used as transition phases in stiffness-tuning soft materials and devices.
Nevertheless, there is a knowledge gap on the fundamental constitutive
behaviors of metals with melting points below 100 degree. This letter reports
the stress-strain rel... | 2003.05609v1 |
2020-03-16 | Signature of band inversion in the perovskite thin-film alloys BaSn$_{1-x}$Pb$_x$O$_3$ | Perovskite oxides ABO$_3$ containing heavy B-site elements are a class of
candidate materials to host topological metals with a large spin-orbit
interaction. In contrast to the band insulator BaSnO$_3$, the semimetal
BaPbO$_3$ is proposed to be a typical example with an inverted band structure,
the conduction band of w... | 2003.07181v1 |
2020-03-25 | New Microscopic Magnetic Hamiltonian for Exotic Spin Textures in Metals | We derive a new microscopic spin Hamiltonian for Rashba-coupled double
exchange metals. The Hamiltonian consists of anisotropic interactions of the
Dzyaloshinskii-Moriya (DM) and Kitaev form, in addition to the standard
isotropic term. We validate the spin Hamiltonian by comparing results with
those on the exact spin-f... | 2003.11245v2 |
2020-03-26 | Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning | Computational study of molecules and materials from first principles is a
cornerstone of physics, chemistry, and materials science, but limited by the
cost of accurate and precise simulations. In settings involving many
simulations, machine learning can reduce these costs, often by orders of
magnitude, by interpolating... | 2003.12081v2 |
2020-03-27 | Grain Boundary Serration in Nickel Alloy Inconel 600: Quantification and Mechanisms | The serration of grain boundaries in Inconel 600 caused by heat treatment is
studied systematically. A new method based on Fourier transforms is used to
analyse the multiple wave-like character of the serrated grain boundaries. A
new metric -- the serration index -- is devised and utilised to quantify the
degree of ser... | 2003.12609v1 |
2020-03-29 | CeCo$_{1-x}$Fe$_{x}$Ge$_{3}$ -- crystal electric field effects and fine tuning around critical substitution | In this article we present some particularly important issues regarding the
CeCo$_{1-x}$Fe$_{x}$Ge$_{3}$ alloys. Firstly, the electrical resistivity below
2 K, down to 500 mK is studied to confirm the non-Fermi-liquid behavior around
the critical substitution range x~0.65. Secondly, the scheme of the crystal
electric f... | 2003.13056v1 |
2020-03-30 | An Untethered Brittle Star-Inspired Soft Robot for Closed-Loop Underwater Locomotion | Soft robots are capable of inherently safer interactions with their
environment than rigid robots since they can mechanically deform in response to
unanticipated stimuli. However, their complex mechanics can make planning and
control difficult, particularly with tasks such as locomotion. In this work, we
present a mobi... | 2003.13529v2 |
2020-03-31 | Unraveling Nanostructured Spin Textures in Bulk Magnets | One of the key challenges in magnetism remains the determination of the
nanoscopic magnetization profile within the volume of thick samples, such as
permanent ferromagnets. Thanks to the large penetration depth of neutrons,
magnetic small-angle neutron scattering (SANS) is a powerful technique to
characterize bulk samp... | 2003.14003v2 |
2020-03-31 | In-situ grown single crystal aluminum as a non-alloyed ohmic contact to n-ZnSe by molecular beam epitaxy (MBE) | Novel ohmic contacts to n-ZnSe are demonstrated using single crystal Al films
deposited on epitaxially grown ZnSe (100) by molecular beam epitaxy (MBE).
Electron Backscatter Diffraction (EBSD) confirmed the single crystalline
structure of the Al films. The (110)-oriented Al layer was rotated rotated
45$^\circ$ relative... | 2003.14411v2 |
2020-05-30 | High-Throughput Screening for Band gap Engineering by Sublattice Mixing of Cs$_2$AgBiCl$_6$ from First-Principles | The lead-free double perovskite material (viz. Cs$_2$AgBiCl$_6$) has emerged
as an efficient and environmentally friendly alternative to lead halide
perovskites. To make Cs$_2$AgBiCl$_6$ optically active in the visible region of
solar spectrum, band gap engineering approach has been undertaken. Using
Cs$_2$AgBiCl$_6$ a... | 2006.00183v1 |
2020-06-01 | Chemical trends of deep levels in van der Waals semiconductors | Properties of semiconductors are largely defined by crystal imperfections
including native defects. Van der Waals (vdW) semiconductors, a newly emerged
class of materials, are no exception: defects exist even in the purest
materials and strongly affect their electrical, optical, magnetic, catalytic
and sensing properti... | 2006.01115v2 |
2020-06-04 | A delayed yielding transition in mechanically annealed binary glasses at finite temperature | The influence of strain amplitude, glass stability and thermal fluctuations
on shear band formation and yielding transition is studied using molecular
dynamics simulations. The model binary mixture is first gradually cooled below
the glass transition temperature and then periodically deformed to access a
broad range of... | 2006.02878v1 |
2020-06-05 | Generating a tide-like flow in a cylindrical vessel by electromagnetic forcing | We show and compare numerical and experimental results on the electromagnetic
generation of a tide-like flow structure in a cylindrical vessel which is
filled with the eutectic liquid metal alloy GaInSn. Fields of various strengths
and frequencies are applied to drive liquid metal flows. The impact of the
field variati... | 2006.03491v1 |
2020-06-16 | Selecting Diverse Models for Scientific Insight | Model selection often aims to choose a single model, assuming that the form
of the model is correct. However, there may be multiple possible underlying
explanatory patterns in a set of predictors that could explain a response.
Model selection without regard for model uncertainty can fail to bring these
patterns to ligh... | 2006.09157v3 |
2020-06-16 | Hybrid Magneto Photonic Material Structure for Plasmon Assisted Magnetic Switching | We have proposed the use of surface plasmon resonances at the interface of
hybrid magneto-photonic heterostructures [Opt. Mat. Exp., 7, 4316 (2017)] for
all-optical control of the macroscopic spin orientation in nanostructures in fs
time scales. This requires strong spin-photon coupling for the resonant
enhancement of ... | 2006.09524v2 |
2020-06-19 | Laser-induced ultrafast demagnetization and perpendicular magnetic anisotropy reduction in a Co$_{88}$Tb$_{12}$ thin film with stripe domains | We use time-resolved x-ray resonant magnetic scattering (tr-XRMS) at the Co
M$_{2,3}$- and Tb O$_1$-edges to study ultrafast demagnetization in an
amorphous Co$_{88}$Tb$_{12}$ alloy with stripe domains. Combining the
femtosecond temporal with nanometer spatial resolution of our experiment, we
demonstrate that the equil... | 2006.11246v1 |
2020-06-21 | Superconductivity in Metal-Rich Chalcogenide Ta2Se | The metal-metal bond in metal-rich chalcogenide is known to exhibit various
structures and dominate interesting physical properties. Ta2Se can be obtained
by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a
layered tetragonal structure with space group P4/nmm (S.G.129, Pearson symbol
tP6). Each uni... | 2006.11895v1 |
2020-06-22 | Exchange coupling constants at finite temperature | An approach to account for the effect of thermal lattice vibrations when
calculating exchange coupling parameters is presented on the basis of the KKR
(Korringa-Kohn-Rostoker) Green function method making use of the alloy analogy
model. Using several representative systems, it is shown that depending on the
material th... | 2006.12448v1 |
2020-06-23 | Adaptive multiscale model reduction for nonlinear parabolic equations using GMsFEM | In this paper, we propose a coupled Discrete Empirical Interpolation Method
(DEIM) and Generalized Multiscale Finite element method (GMsFEM) to solve
nonlinear parabolic equations with application to the Allen-Cahn equation. The
Allen-Cahn equation is a model for nonlinear reaction-diffusion process. It is
often used t... | 2006.12959v2 |
2020-06-23 | Equilibrium current vortices in rare-earth-doped simple metals | Dilute alloys of rare earths have played a vital role in understanding
magnetic phenomena. Here, we model the ground state of dilute 4f rare-earth
impurities in light metals. When the 4f subshells are open (but not
half-filled), the spin-orbit coupling imprints a rotational charge current of
conduction electrons around... | 2006.13024v2 |
2020-06-27 | The higher superconducting transition temperature T$_c$ and the functional derivative of T$_c$ with $α^2F(ω)$ for electron-phonon superconductors | This work presents an analysis of the functional derivative of the
superconducting transition temperature T$_c$ with respect to the
electron-phonon coupling function $\alpha^2F(\omega)$ [$\delta T_c/\delta
\alpha^2$F($\omega$)] and $\alpha^2F(\omega)$ spectrum of H$_3$S ($Im\bar3m$),
in the pressure range where the hig... | 2006.15248v2 |
2020-06-30 | Correlating surface energy with adsorption energy by means of intrinsic characteristics of substrates | Surface energy is fundamental in controlling surface properties and
surface-driven processes like heterogeneous catalysis, as adsorption energy is.
It is thus crucial to establish an effective scheme to determine surface energy
and its relation with adsorption energy. Herein, we propose a model to quantify
the effects ... | 2006.16730v2 |
2020-07-01 | Microscopic origin of magnetization reversal in exchange-coupled ferro-/ferrimagnetic bilayers | In this study, the magnetic reversal process of exchange-coupled bilayer
systems, consisting of a ferrimagnetic TbFeCo alloy layer and a ferromagnetic
[Co/Ni/Pt]N multilayer, was investigated. In particular, minor loop studies,
probing solely the reversal characteristics of the softer ferromagnetic layer,
reveal two di... | 2007.00333v1 |
2020-07-01 | Colossal Seebeck coefficient in Aurivillius Phase-Perovskite Oxide Composite | We propose an inexpensive scalable approach for achieving extremely high
values of Seebeck coefficient ($\alpha$) by exploiting the natural superlattice
structure in Aurivillius phase oxides. In particular, we report an $\alpha
\approx $ 319\,mV/K at 300\,K in a composite of Aurivillius phase compound
SrBi$_4$Ti$_4$O$_... | 2007.00632v2 |
2020-07-04 | Composition heterogeneity influence on the phase formation dynamics in the Al-Y melt | It is shown that at a description of a binary solution, in the presence of a
liquid phase of variable composition and a stoichiometric solid phase, the
concept of chemical potential can be introduced for stoichiometry, which
qualitatively describes the dynamics of the re-distribution of the impurity at
the contact of t... | 2007.02048v1 |
2020-07-05 | Deep Learning based Dimple Segmentation for Quantitative Fractography | In this work, we try to address the challenging problem of dimple detection
and segmentation in Titanium alloys using machine learning methods, especially
neural networks. The images i.e. fractographs are obtained using a Scanning
Election Microscope (SEM). To determine the cause of fracture in metals we
address the pr... | 2007.02267v3 |
2020-07-07 | Anisotropy induced spin re-orientation in chemically-modulated amorphous ferrimagnetic films | The ability to tune the competition between the in-plane and out-of-plane
orientation of magnetization provides a means to construct thermal sensors with
a sharp spin re-orientation transition at specific temperatures. We have
observed such a tuneable, temperature driven spin re-orientation in
structurally amorphous, f... | 2007.03657v1 |
2020-07-07 | Nucleation properties of isolated shear bands | Shear banding, or localization of intense strains along narrow bands, is a
plastic instability in solids with important implications for material failure
in a wide range of materials and across length-scales. In this paper, we report
on a series of experiments on the nucleation of single isolated shear bands in
three m... | 2007.03804v1 |
2020-07-08 | Thermomechanical conversion in metals: dislocation plasticity model evaluation of the Taylor-Quinney coefficient | Using a partitioned-energy thermodynamic framework which assigns energy to
that of atomic configurational stored energy of cold work and
kinetic-vibrational, we derive an important constraint on the Taylor-Quinney
coefficient, which quantifies the fraction of plastic work that is converted
into heat during plastic defo... | 2007.04270v1 |
2020-07-14 | Dissolution-Precipitation Growth of Uniform and Clean Two Dimensional Transition Metal Dichalcogenides | Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have attracted
much interest and shown promise in many applications. However, it is
challenging to obtain uniform TMDCs with clean surfaces, because of the
difficulties in controlling the way the reactants are supplied to the reaction
in the current chemical... | 2007.06917v1 |
2020-07-25 | PyXtal FF: a Python Library for Automated Force Field Generation | We present PyXtal FF, a package based on Python programming language, for
developing machine learning potentials (MLPs). The aim of PyXtal FF is to
promote the application of atomistic simulations by providing several choices
of structural descriptors and machine learning regressions in one platform.
Based on the given... | 2007.13012v1 |
2020-07-27 | The effect of manganese and silicon additions on the corrosion resistance of a polycrystalline nickel-based superalloy | The service lives of nickel superalloys are often limited by environmental
degradation. The present study compares oxidation, sulfidation and hot
corrosion at 750C of three variants of a polycrystalline superalloy: a baseline
alloy, a variant containing 1wt% Mn and one containing 0.5wt% Si. Mn reduced
the oxidation rat... | 2007.13416v1 |
2020-07-28 | Structural-transition-driven antiferromagnetic to spin-glass transition in Cd-Mg-Tb 1/1 approximants | The magnetic susceptibility of the 1/1 approximants to icosahedral
quasicrystals in a series of Cd85-xMgxTb15 (x = 5, 10, 15, 20) alloys was
investigated in detail. The occurrence of antiferromagnetic to spin-glass-like
transition was noticed by increasing Mg. Transmission electron microscopy
analysis evidenced a corre... | 2007.14526v1 |
2020-07-31 | Using Ripley's K-function to Characterize Clustering In 3-Dimensional Point Patterns With a Case Study in Atom Probe Tomography | The size and structure of spatial molecular and atomic clustering can
significantly impact material properties and is therefore important to
accurately quantify. Ripley's K-function (K(r)), a measure of spatial
correlation, can be used to perform such quantification when the material
system of interest can be represent... | 2007.15992v1 |
2020-09-01 | Pseudo spin-valve switch based on ferromagnet/superconductor/ferromagnet trilayer microbridge | A noticeable magnetoresistive effect has been observed on
ferromagnet/superconductor/ferromagnet (FSF) microbridges based on diluted
ferromagnetic PdFe alloy containing as small as 1% magnetic atoms.
Microstructuring of the FSF trilayers does not destroy the effect: the most
pronounced curves were obtained on the small... | 2009.00498v1 |
2020-09-08 | Sequential Subspace Search for Functional Bayesian Optimization Incorporating Experimenter Intuition | We propose an algorithm for Bayesian functional optimisation - that is,
finding the function to optimise a process - guided by experimenter beliefs and
intuitions regarding the expected characteristics (length-scale, smoothness,
cyclicity etc.) of the optimal solution encoded into the covariance function of
a Gaussian ... | 2009.03543v1 |
2020-09-11 | Out-of-equilibrium Polymorph Selection in Nanoparticle Freezing | The ability to design synthesis processes that are out of equilibrium has
opened the possibility of creating nanomaterials with remarkable
physico-chemical properties, choosing from a much richer palette of possible
atomic architectures compared to equilibrium processes in extended systems. In
this work, we employ atom... | 2009.05316v1 |
2020-09-11 | An Atomistic Modelling Study of the Properties of Dislocation Loops in Zirconium | Neutron irradiation progressively changes the properties of zirconium alloys:
they harden and their average c/a lattice parameter ratio decreases with
fluence. The bombardment by neutrons produces point defects, which evolve into
dislocation loops that contribute to a non-uniform growth phenomenon called
irradiation-in... | 2009.05340v1 |
2020-09-17 | Complex solid solution electrocatalyst discovery by prediction and high-throughput experimentation | Efficient discovery of electrocatalysts for electrochemical energy conversion
reactions is of utmost importance to combat climate change. With the example of
the oxygen reduction reaction we show that by utilising a data-driven discovery
cycle, the multidimensionality challenge offered by compositionally complex
solid ... | 2009.08529v1 |
2020-09-18 | Extraordinary thermoelectric performance of ABaX compared to Bi$_2$Te$_3$ | Thermoelectric materials can generate electricity directly utilizing heat and
thus, they are considered to be eco-friendly energy resources. The
thermoelectric efficiency at low temperatures is impractically small, except
only a few bulk materials (Bi$_2$Te$_3$ and its alloys). Here, I predict two
new thermoelectric ma... | 2009.08938v1 |
2020-09-28 | Uncertainty Quantification in Atomistic Modeling of Metals and its Effect on Mesoscale and Continuum Modeling A Review | The design of next-generation alloys through the Integrated Computational
Materials Engineering (ICME) approach relies on multi-scale computer
simulations to provide thermodynamic properties when experiments are difficult
to conduct. Atomistic methods such as Density Functional Theory (DFT) and
Molecular Dynamics (MD) ... | 2009.13557v1 |
2020-09-30 | CuTe chains on Cu(111) by deposition of 1/3 ML Te: atomic and electronic structure | The surface atomic and electronic structure after deposition of 1/3 monolayer
(ML) Te on Cu(111) was determined using a combination of low-energy electron
diffraction (LEED), scanning tunneling microscopy and spectroscopy (STM/STS),
angle-resolved single and two-photon photoelectron spectroscopy (ARPES
/AR-2PPE) and de... | 2009.14618v1 |
2020-09-30 | Growth of a textured quasicrystalline phase in Ti-Ni-Zr films prepared by pulsed laser deposition | The preparation in thin film form of the known icosahedral phase in Ti-Ni-Zr
bulk alloys has been investigated as a function of substrate temperature. Films
were deposited by Pulsed Laser Deposition on sapphire substrates at
temperatures ranging from room temperature to 350$^\circ$C. Morphological and
structural modifi... | 2009.14646v1 |
2020-09-30 | Three-Dimensional In Situ Texture Development and Plasticity Accumulation in the Cyclic Loading of an alpha-Ti Alloy | High-energy synchrotron x-rays are used to track grain rotations and the
micromechanical evolution of a hexagonal Ti-7Al microstructure as it is
cyclically loaded below its macroscopic yield stress. The evolution of the
grains through 200 cycles reveals a continual change in von Mises stress and
orientation across the ... | 2010.00111v1 |
2020-10-09 | Alloying induces directionally-dependent mobility and alters migration mechanisms of faceted grain boundaries | Faceted grain boundaries exhibit unusual segregation and migration
tendencies. To gain a deeper understanding of how solute atoms interact with
faceted interfacial structures during migration, this study probes the
migration behavior of a faceted $\Sigma$11 boundary in Cu doped with Ag atoms.
The solutes are found to s... | 2010.04779v2 |
2020-10-12 | Graph Neural Networks for an Accurate and Interpretable Prediction of the Properties of Polycrystalline Materials | Various machine learning models have been used to predict the properties of
polycrystalline materials, but none of them directly consider the physical
interactions among neighboring grains despite such microscopic interactions
critically determining macroscopic material properties. Here, we develop a
graph neural netwo... | 2010.05851v3 |
2020-10-16 | Effect of electron-phonon scattering, pressure and alloying on the thermoelectric performance of TmCu$_3$Ch$_4$ (Tm=V, Nb, Ta; Ch=S, Se, Te) | The demand for green energy increases day by day due to environmental concern
and thermoelectric (TE) materials are one of the eco-friendly energy resources.
Few authors reported high TE performance in TmCu$_3$Ch$_4$, reaching the figure
of merit (ZT) above 2 at 1000K, from first-principles calculations neglecting
elec... | 2010.08461v1 |
2020-10-02 | Classical and Quantum Magnetic Ground States on an Icosahedral Cluster | Recent discovery of various magnetism in Tsai-type quasicrystalline
approximants, in whose alloys rare-earth ions located on icosahedral apices are
coupled with each other via the Ruderman--Kittel--Kasuya--Yosida interaction,
opens an avenue to find novel magnetism originating from the icosahedral
symmetry. Here we inv... | 2010.09445v2 |
2020-10-26 | AgCl-induced hot salt stress corrosion cracking in a titanium alloy | The mechanism of AgCl-induced stress corrosion cracking of Ti-6246 was
examined at \SI{500}{\mega\pascal} and \SI{380}{\celsius} for \SI{24}{\hour}
exposures. SEM and STEM-EDX examination of a FIB-sectioned blister and crack
showed that metallic Ag was formed and migrated along the crack. TEM analysis
also revealed the... | 2010.13875v2 |
2020-11-01 | On the Reflectivity of 128 nm Photons Off Stainless Steel | This investigation presents a new experimental determination of the
reflectivity of 128 nm scintillation photons off stainless steel. The
experiment took place in the TallBo dewar facility at Fermilab. The data were
obtained using a detector that is sensitive to photons falling on its front
face but is insensitive to p... | 2011.00507v1 |
2020-11-05 | Dislocation-induced Y segregation at basal-prismatic interfaces in Mg | Solute segregation at twin boundaries in Mg has been widely investigated, yet
this phenomenon has not been studied at the equally important basal-prismatic
interfaces. To fill this critical gap, this work investigates the segregation
behavior of Y at basal-prismatic interfaces with various structures using
atomistic si... | 2011.03134v2 |
2020-11-06 | Experimental quantification of atomically-resolved HAADF-STEMimages using EDX | Atomically-resolved mappings of the indium composition in InGaN/GaN
multi-quantum wellstructures have been obtained by quantifying the contrast in
HAADF-STEM. The quantificationprocedure presented here does not rely on
computation-intensive simulations, but rather uses EDXmeasurements to calibrate
the HAADF-STEM contra... | 2011.03387v1 |
2020-11-08 | Studies on optical signal due to oxygen effect on hydrogenated amorphous/crystalline silicon thin-films | We have studied the effects of oxygen on hydrogenated amorphous/crystalline
silicon films in terms of their structural and optical properties. Different
hydrogenated silicon oxide (SiO:H) and silicon (Si:H) films are fabricated
between microcrystalline and amorphous transition region. X-ray diffraction,
Raman, FTIR and... | 2011.03930v1 |
2020-11-23 | Neutron study of magnetic correlations in rare-earth-free Mn-Bi magnets | We report the results of an unpolarized small-angle neutron scattering (SANS)
study on Mn-Bi-based rare-earth-free permanent magnets. The magnetic SANS cross
section is dominated by long-wavelength transversal magnetization fluctuations
and has been analyzed in terms of the Guinier-Porod model and the distance
distribu... | 2011.11446v2 |
2020-11-24 | Dzyaloshinskii-Moriya interaction induced by an ultrashort electromagnetic pulse: Application to coherent (anti)ferromagnetic skyrmion nucleation | We show how a Dzyaloshinskii-Moriya interaction can be generated in an
ultrathin metal film from the induced internal electric field created by an
ultrashort electromagnetic pulse. This interaction does not require structural
inversion-symmetry breaking, and its amplitude can be tuned depending on the
amplitude of the ... | 2011.12055v1 |
2020-11-25 | Effect of Carbon in Severe Plastically Deformed Metals | In the last decades severe plastic deformation techniques have gained
increasing interest as they allow the production of bulk nanostructured
materials with superior mechanical and functional properties. However, because
of mechanically induced grain boundary migration, the achievable grain size
reduction is not indefi... | 2011.12549v1 |
2020-11-25 | Introduction of Sr into Bi2Se3 thin films by molecular beam epitaxy | SrxBi2Se3 is a candidate topological superconductor but its superconductivity
requires the intercalation of Sr by into the van-der-Waals gaps of Bi2Se3. We
report the synthesis of SrxBi2Se3 thin films by molecular beam epitaxy, and we
characterize their structural, vibrational and electrical properties. X-ray
diffracti... | 2011.12755v1 |
2020-11-30 | Tough sheets of nanowires produced floating in the gas phase | Assembling nanostructured building blocks into network materials unlocks
macroscopic properties inaccessible with monolithic solids, notably toughness
and tolerance to electrochemical alloying. A method is reported for
large-scale, continuous synthesis of silicon nanowires (SiNWs) suspended in the
gas phase and their d... | 2011.14942v1 |
2020-12-01 | High resolution electron backscatter diffraction study on the heterogeneities of tetragonal distortion in Fe-C martensite at the microstructural scale | The spatial variation in martensite tetragonality (c/a ratio) in Fe-0.77C
(wt.%) alloy was investigated by means of pattern matching of electron
backscatter diffraction patterns combined with high angular resolution electron
backscatter diffraction analysis. It was found that the c/a ratio varies within
a martensite bl... | 2012.00420v1 |
2020-12-01 | Sol-gel synthesis of Li3VO4/C composites as anode materials for lithium-ion batteries | Li3VO4/C composites have been synthesized by a sol-gel method and
post-annealing at 650 {\deg}C for 1 h in N2 flow using either tartaric acid,
malic acid, or glucose as both chelating agents and carbon source. The presence
of these organic additives crucially affects morphology and crystallite size of
the final product... | 2012.00735v1 |
2020-12-04 | A novel multi-classifier information fusion based on Dempster-Shafer theory: application to vibration-based fault detection | Achieving a high prediction rate is a crucial task in fault detection.
Although various classification procedures are available, none of them can give
high accuracy in all applications. Therefore, in this paper, a novel
multi-classifier fusion approach is developed to boost the performance of the
individual classifiers... | 2012.02481v2 |
2020-12-05 | A contamination-free electron-transparent metallic sample preparation method for MEMS experiments with in situ S/TEM | Microelectromechanical systems (MEMS) are currently supporting
ground-breaking basic research in materials science and metallurgy as they
allow in situ experiments on materials at the nanoscale within
electron-microscopes in a wide variety of different conditions such as extreme
materials dynamics under ultrafast heati... | 2012.02941v1 |
2020-12-07 | Development of Si based anodes for Li-ion batteries from a rational component design | Inspired by the wisdom of metallurgists in designing new alloys, the
Integrated Computational Materials Engineering (ICME) based design strategy is
proposed for development of Si based anodes for Li-ion batteries (LIBs). The
strategy starts with a rational component design of Si-X, where X is the
additive component(s) ... | 2012.03645v1 |
2020-12-07 | Gas-induced selective re-orientation of Au-Cu nanoparticles on TiO 2 (110) | Au-Cu bimetallic nanoparticles (NPs) grown on TiO 2 (110) have been followed
in-situ using grazing incidence x-ray diffraction and x-ray photoemission
spectroscopy from their synthesis to their exposure to a CO/O 2 mixture at low
pressure (P < 10-5 mbar) and at different temperatures (300 K-470 K).
As-prepared samples ... | 2012.03810v1 |
2020-12-11 | Predicting orientation-dependent plastic susceptibility from static structure in amorphous solids via deep learning | It has been a long-standing materials science challenge to establish
structure-property relations in amorphous solids. Here we introduce a
rotation-variant local structure representation that enables different
predictions for different loading orientations, which is found essential for
high-fidelity prediction of the p... | 2012.06056v1 |
2020-12-08 | Film flip and transfer process to enhance light harvesting in ultrathin absorber films on specular back-reflectors | Optical interference is used to enhance light-matter interaction and harvest
broadband light in ultrathin semiconductor absorber films on specular
back-reflectors. However, the high-temperature processing in oxygen atmosphere
required for oxide absorbers often degrades metallic back-reflectors and their
specular reflec... | 2012.07577v1 |
2020-12-15 | Advanced materials for magnetic cooling:fundamentals and practical aspects | Over the last two decades, the research activities on magnetocalorics have
been exponentially increased leading to the discovery of a wide category of
materials including intermetallics and oxides. Even though the reported
materials were found to show excellent magnetocaloric properties on laboratory
scale, only a rest... | 2012.08176v1 |
2020-12-22 | Superconductivity in amorphous RexZr (x ~ 6) thin films | We report the growth, characterization and superconducting properties of a
new amorphous superconductor, RexZr ( x ~ 6 ), in thin film form. Films were
grown by pulsed laser deposition with the substrate kept at room temperature.
Films with thickness larger than 40 nm showed a superconducting transition
temperature (Tc... | 2012.12058v1 |
2020-12-30 | The Li-F-H Ternary System at High Pressures | Evolutionary crystal structure prediction searches have been employed to
explore the ternary Li-F-H system at 300 GPa. Metastable phases were uncovered
within the static lattice approximation, with LiF$_3$H$_2$, LiF$_2$H,
Li$_3$F$_4$H, LiF$_4$H$_4$, Li$_2$F$_3$H and LiF$_3$H lying within 50 meV/atom
of the 0 K convex h... | 2012.15336v1 |
2020-12-31 | Cooling under applied stress rejuvenates amorphous alloys and enhances their ductility | The effect of tensile stress applied during cooling of binary glasses on the
potential energy states and mechanical properties is investigated using
molecular dynamics simulations. We study the three-dimensional binary mixture
that was first annealed near the glass transition temperature and then rapidly
cooled under t... | 2012.15552v1 |
2021-01-07 | Synchrotron x-ray diffraction studies of the $α\rightleftharpoons β$ structural phase transition in Sn and Sn-Cu | The transformation between the metallic ($\beta$) and semi-conducting
($\alpha$) allotropes of tin is still not well understood. The phase transition
temperature stated in the literature, 286.2 K, seems to be inconsistent with
recent calorimetric measurements. In this paper, this intriguing aspect has
been explored in ... | 2101.02370v2 |
2021-01-16 | Cepstral Scanning Transmission Electron Microscopy Imaging of Severe Lattice Distortions | The development of four-dimensional (4D) scanning transmission electron
microscopy (STEM) using fast detectors has opened-up new avenues for addressing
some of long-standing challenges in electron imaging. One of these challenges
is how to image severely distorted crystal lattices, such as at a dislocation
core. Here w... | 2101.06503v1 |
2021-02-01 | Resistive transition of hydrogen-rich superconductors | Critical temperature, $T_c$, and the transition width, $\Delta$$T_c$, are two
primary parameters of the superconducting transition. The latter parameter
reflects the superconducting state disturbance originating from the
thermodynamic fluctuations, atomic disorder, applied magnetic field, the
presence of secondary crys... | 2102.00946v3 |
2021-02-01 | Strong coupling of Fe-Co alloy with ultralow damping to superconducting co-planar waveguide resonators | We report on the strong coupling between a metallic ferromagnetic Fe75Co25
thin film patterned element and a range of superconducting Nb half-wavelength
co-planar waveguide (CPW) resonators. By varying the volume of the ferromagnet
we demonstrate that the coupling rate scales linearly with the square root of
the number... | 2102.01129v1 |
2021-02-04 | Hierarchical multiscale quantification of material uncertainty | The macroscopic behavior of many materials is complex and the end result of
mechanisms that operate across a broad range of disparate scales. An imperfect
knowledge of material behavior across scales is a source of epistemic
uncertainty of the overall material behavior. However, assessing this
uncertainty is difficult ... | 2102.02927v1 |
2021-02-07 | Spinterface Induced Modification in Magnetic Properties in Co40Fe40B20/Fullerene Bilayers | Organic semiconductor/ferromagnetic bilayer thin films can exhibit novel
properties due to the formation of the spinterface at the interface.
Buckminsterfullerene (C60) has been shown to exhibit ferromagnetism at the
interface when it is placed next to a ferromagnet (FM) such as Fe or Co.
Formation of spinterface occur... | 2102.03914v4 |
2021-02-09 | A Physics Based Multiscale Compact Model of p-i-n Avalanche Photodiodes | III-V material based digital alloy Avalanche Photodiodes (APDs) have recently
been found to exhibit low noise similar to Silicon APDs. The III-V materials
can be chosen to operate at any wavelength in the infrared spectrum. In this
work, we present a physics-based SPICE compatible compact model for APDs built
from para... | 2102.04647v1 |
2021-02-09 | Substitutional effects in TiFe for hydrogen storage: a comprehensive review | The search for suitable materials for solid-state stationary storage of green
hydrogen is pushing the implementation of efficient renewable energy systems.
This involves rational design and modification of cheap alloys for effective
storage in mild conditions of temperature and pressure. Among many
intermetallic compou... | 2102.04766v1 |
2021-02-11 | Quantum Spin-Valley Hall Kink States: From Concept to Materials Design | We propose a general and tunable platform to realize high-density arrays of
quantum spin-valley Hall kink (QSVHK) states with spin-valley-momentum locking
based on a two-dimensional hexagonal topological insulator. Through the
analysis of Berry curvature and topological charge, the QSVHK states are found
to be topologi... | 2102.05806v2 |
2021-02-13 | Highly efficient parallel grand canonical simulations of interstitial-driven deformation-diffusion processes | Diffusion of interstitial alloying elements like H, O, C, and N in metals and
their continuous relocation and interactions with their microstructures have
crucial influences on metals properties. However, besides limitations in
experimental tools in capturing these mechanisms, the inefficiency of numerical
tools also i... | 2102.06980v1 |
2021-02-23 | Combined Iodine- and Sulfur-based Treatments for an Effective Passivation of GeSn Surface | GeSn alloys are metastable semiconductors that have been proposed as building
blocks for silicon-integrated short-wave and mid-wave infrared photonic and
sensing platforms. Exploiting these semiconductors requires, however, the
control of their epitaxy and their surface chemistry to reduce non-radiative
recombination t... | 2102.11908v1 |
2021-02-25 | High-throughput nanoindentation mapping of cast IN718 nickel-based superalloys: influence of the Nb concentration | A high-throughput correlative study of the local mechanical properties,
chemical composition and crystallographic orientation has been carried out in
selected areas of cast Inconel 718 specimens subjected to three different
tempers. The specimens showed a strong Nb segregation at the scale of the
dendrite arms, with lo... | 2102.12785v1 |
2021-02-25 | Electric Quantum Oscillation in Weyl Semimetals | Electronic transport in Weyl semimetals is quite extraordinary due to the
topological property of the chiral anomaly generating the charge pumping
between two distant Weyl nodes with opposite chiralities under parallel
electric and magnetic fields. Here, we develop a full nonequilibrium quantum
transport theory of the ... | 2102.13115v1 |
2021-04-05 | Competing ferromagnetic and antiferromagnetic interactions drive the magnetocaloric tunability in Gd55Co30NixAl15-x microwires | We have employed Gd55Co30NixAl15-x (x = 10, 5 and 0) amorphous microwires as
a model system to unravel the impact of multiple magnetic interactions on the
magnetism and the magnetocaloric behavior in Gd-alloy microwire systems. Our
study shows that in addition to the RKKY ferromagnetic (FM) interaction
(Gd-Gd), antifer... | 2104.01790v1 |
2021-04-06 | Non-local corrections to the typical medium theory of Anderson localization | We use the recently developed finite cluster typical medium approach to study
the Anderson localization transition in three dimensions. Applying our method
to the box and binary alloy disorder distributions, we find a fast convergence
with the cluster size. We demonstrate the importance of the typical medium
environmen... | 2104.02509v1 |
2021-04-14 | Lack of Fusion in Additive Manufacturing: Defect or Asset? | Rapid cooling rates and stochastic interactions between the heat source and
feedstock in additive manufacturing (AM) result in strong anisotropy and
process-induced defects deteriorating the tensile ductility and fatigue
resistance of printed parts. We show that by deliberately introducing a high
density of lack of fus... | 2104.07014v1 |
2021-04-15 | Comparison of highly-compressed C2/m-SnH12 superhydride with conventional superconductors | Satterthwaite and Toepke (1970 Phys. Rev. Lett. 25 741) predicted
high-temperature superconductivity in hydrogen-rich metallic alloys, based on
an idea that these compounds should exhibit high Debye frequency of the proton
lattice, which boosts the superconducting transition temperature, Tc. The idea
has got full confi... | 2104.07364v1 |
2021-04-23 | Hydrogenation kinetics of metal hydride catalytic layers | Catalyzing capping layers on top of metal hydrides are often employed to
enhance the hydrogenation kinetics of metal-hydride based systems such as
hydrogen sensors. Here, we experimentally study the hydrogenation kinetics of
capping layers composed of several alloys of Pd and Au as well as Pt, Ni and
Ru, all with and w... | 2104.11703v1 |
2021-04-25 | Analysis of a Three-Dimensional Slip Field in a Hexagonal Ti Alloy from in-situ High-Energy X-ray Diffraction Microscopy Data | Here we analyze a three-dimensional distribution of crystallographic slip
measured in-situ during the uniaxial deformation of hexagonal Ti-7Al. The slip
field is reconstructed using a novel methodology that combines spatially
resolved lattice orientation fields and grain-averaged stresses measured using
high-energy X-r... | 2104.12204v1 |
2021-04-19 | Computing Grain Boundary Diagrams of Thermodynamic and Mechanical Properties | Computing the grain boundary (GB) counterparts to bulk phase diagrams
represents an emerging research direction. Using a classical embrittlement
model system Ga-doped Al alloy, this study demonstrates the feasibility of
computing temperature- and composition-dependent GB diagrams to represent not
only equilibrium therm... | 2104.12560v2 |
2021-04-28 | Effective reduction of PdCoO2 thin films via hydrogenation and sign tunable anomalous Hall effect | PdCoO2 , belonging to a family of triangular oxides called delafossite, is
one of the most conducting oxides. Its in-plane conductivity is comparable to
those of the best metals, and exhibits hydrodynamic electronic transport with
extremely long mean free path at cryogenic temperatures. Nonetheless, it is
nonmagnetic d... | 2104.13536v1 |
2021-04-28 | Polarisation-dependent single-pulse ultrafast optical switching of an elementary ferromagnet | The ultimate control of magnetic states of matter at femtosecond (or even
faster) timescales defines one of the most pursued paradigm shifts for future
information technology. In this context, ultrafast laser pulses developed into
extremely valuable stimuli for the all-optical magnetisation reversal in
ferrimagnetic an... | 2104.13850v1 |
2021-04-29 | Parent grain reconstruction from partially or fully transformed microstructures in MTEX | A versatile generic framework for parent grain reconstruction from fully or
partially transformed child microstructures was integrated into the open-source
crystallographic toolbox MTEX. The framework extends traditional parent grain
reconstruction, phase transformation and variant analysis to all parent-child
crystal ... | 2104.14603v1 |
2021-05-01 | Complementary electrochemical ICP-MS flow cell and in-situ AFM study of the anodic desorption of molecular adhesion promotors | Molecular adhesion promoters are a central component of modern coating
systems for the corrosion protection of structural materials. They are
interface active and form ultrathin corrosion inhibiting and adhesion-promoting
layers. Here we utilize thiol-based self-assembled monolayers (SAMs) as model
system for demonstra... | 2105.00280v1 |
2021-05-09 | Structural, magnetic, and critical behavior of CrTe_{1-x}Sb_{x} Alloys | We investigate the structural and critical properties of CrTe1-xSbx with 0.0
\leq x \leq 0.2. The XRD patterns revealed that Sb-substitution resulted in a
pure NiAs-hexagonal structure with P63/mmc (194) space-group. Lattice
refinement of the structure revealed little changes in the a-lattice parameter,
along with a mo... | 2105.03912v1 |
2021-05-10 | Understanding Carbon Contamination in Proton Conducting Oxides | Carbon contamination is a significant concern for proton-conducting oxides in
the cerate and zirconate family, particularly for BaCeO$_3$. Here, we use
first-principles calculations to evaluate carbon stability in SrCeO$_3$,
BaCeO$_3$, SrZrO$_3$, and BaZrO$_3$. The cerates require more carbon-poor
environments to preve... | 2105.04640v1 |
2021-05-13 | Vibratory Powder Feeding for Powder Bed AdditiveManufacturing using Water and Gas Atomized MetalPowders | Commercial powder bed fusion additive manufacturing systems use recoaters for
the layer-by-layer distribution of powder. Despite the known limitations of
recoaters, there has been relatively little work presented on the possible
benefits of alternative powder delivery systems. Here, we show the use of a
technology usin... | 2105.06538v1 |
2021-05-18 | Improved efficiency of planar light converters based on Al2O3-YAG:Ce eutectic crystals: Physical Trends and Limits | A theoretical model of a crystalline converter of white light with internal
scattering medium is proposed. Obtained are the expressions for estimation of
the light converter efficiency depending on its optical parameters (refractive
index and coefficients of absorption at the wavelengths of the incident and
re-emitted ... | 2105.08259v1 |
2021-05-20 | Competition of Core-Shell and Janus Morphology in Alloy Nanoparticles: Insights From a Phase-Field Model | Bimetallic nanoparticles (BNPs) exhibit diverse morphologies such as
core-shell, Janus, onion-like, quasi-Janus, and homogeneous structures.
Although extensive effort has been directed towards understanding the
equilibrium configurations of BNPs, kinetic mechanisms involved in their
development have not been explored s... | 2105.09531v1 |
2021-05-21 | Making BaZrS3 chalcogenide perovskite thin films by molecular beam epitaxy | We demonstrate the making of BaZrS3 thin films by molecular beam epitaxy
(MBE). BaZrS3 forms in the orthorhombic distorted-perovskite structure with
corner-sharing ZrS6 octahedra. The single-step MBE process results in films
smooth on the atomic scale, with near-perfect BaZrS3 stoichiometry and an
atomically-sharp inte... | 2105.10258v1 |
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