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2018-10-18 | Coating of Aluminum Alloys by Micro Arc Oxidation in Nitrate Salt | Plasma electrolytic oxidation (PEO) is a process for obtaining oxide coatings
on valve metals. Mostly PEO is done in an aqueous solution electrolyte which
limits the size of treated parts due to the system heating up. In presented
work an alternative method of PEO processing applied in aluminum 1050 alloy in
nitrate mo... | 1810.08018v1 |
2018-10-23 | Ultra-low Hysteresis in Giant Magnetocaloric Mn1-xVxFe(P,Si,B) Compounds | Large thermal hysteresis in the MnFe(P, Si, B) system hinders the heat
exchange rate and thus limits the magnetocaloric applications at high
frequencies. Substitution of Mn by V in Mn1-xVxFe0.95P0.593Si0.33B0.077 and
Mn1-xVxFe0.95P0.563Si0.36B0.077 alloys was found to reduce the thermal
hysteresis due to a decrease in ... | 1810.09902v1 |
2019-01-21 | Non-collinear coupling across RuCo and RuFe alloys | Spintronic applications, which rely on spin torques for operation, would
greatly benefit from a non-collinear alignment between magnetizations of
adjacent ferromagnetic layers for maximum performance and reliability. We
demonstrate that such an alignment can be created and controlled by coupling
two ferromagnetic layer... | 1901.07055v1 |
2019-01-22 | Atomistic Relaxation Process in a Ni3Al Ordered Phase Using Path Probability Method with Vacancy Mechanisms | The path probability method (PPM), which is a natural extension of the
cluster variation method (CVM) to a time domain, has been employed in a
relaxation process of atomic configurations in alloy systems. Although the
vacancy mechanism is the main atomic migration process in an alloy system, most
studies of PPM have us... | 1901.07210v1 |
2019-04-03 | Amorphous Intergranular Films Enable the Creation of Bulk Nanocrystalline Cu-Zr with Full Density | Nanocrystalline metal alloys show great potential as structural materials,
but are often only available in small volumes such as thin films or powders.
However, recent research has suggested that dopant segregation and grain
boundary structural transitions between states known as complexions can
dramatically alter grai... | 1904.02230v2 |
2019-04-09 | Corrosion studies on Fe-30Mn-1C alloy in chloridecontaining solutions with view to biomedical application | Austenitic Fe-30Mn-1C (FeMnC) is a prospective biodegradable implant material
combining high mechanical integrity with adequate corrosion rates. The fast
solidified TWIP alloy, its constituents and 316L stainless steel were
electrochemically analysed in various electrolytes at 37 {\deg}C under laminar
flow. Potentiodyn... | 1904.04611v1 |
2019-04-11 | From diffusion experiments to mean-field theory simulations and back | Using previous experimental data of diffusion in metallic alloys, we obtain
real values for an interpolation parameter introduced in a mean-field theory
for diffusion with interaction. Values of order 1 were found as expected,
finding relevance for this quantity as a way to better understand the
underlying dynamics of ... | 1904.05799v2 |
2019-04-15 | Evolution of interfacial dislocation network during low-stress high temperature creep of particle strengthened alloy system using discrete dislocation dynamics simulations | We use three-dimensional discrete dislocation dynamics simulations (DDD) to
study the evolution of interfacial dislocation network (IDN) in
particle-strengthened alloy systems subjected to constant stress at high
temperatures. We have modified the dislocation mobility laws to incorporate the
recovery of the dislocation... | 1904.08768v1 |
2019-04-25 | Annealing driven positive and negative exchange bias in Fe-Cu-Pt heterostructures at room temperature | We report annealing induced exchange bias in Fe-Cu-Pt based heterostructures
with Cu as an intermediate layer (Fe/Cu/Pt heterostructure) and capping layer
(Fe/Pt/Cu heterostructure). Exchange bias observed at room temperature (300 K)
is found to be dependent on the annealing temperature. We obtained positive
exchange b... | 1904.11270v1 |
2019-07-02 | Exploring effective charge in electromigration using machine learning | The effective charge of an element is a parameter characterizing the
electromgration effect, which can determine the reliability of interconnection
in electronic technologies. In this work, machine learning approaches were
employed to model the effective charge (z*) as a linear function of physically
meaningful element... | 1907.01480v1 |
2019-07-14 | High entropy alloy superconductors -- status, opportunities and challenges | High entropy alloys (HEAs) are a recently-opened research area in materials
science and condensed matter physics. Although 3d-metal-based HEAs have already
been the subject of many investigations, studies of HEA superconductors, which
tend to be based on 4d metals, are relatively fewer. Here we provide a short
update o... | 1907.06195v2 |
2019-10-01 | Unique Dirac and Triple point fermiology in simple transition metals and their binary alloys | Noble metal surfaces (Au, Ag and Cu etc.) have been extensively studied for
the Shockley type surface states (SSs). Very recently, some of these Shockley
SSs have been understood from the topological consideration, with the knowledge
of global properties of electronic structure. In this letter, we show the
existence of... | 1910.00196v2 |
2019-10-08 | Analytical Models of Phonon-Point Defect Scattering | Point defects exist widely in engineering materials and are known to scatter
vibrational modes to reduce thermal conductivity. The Klemens description of
point defect scattering is the most prolific analytical model for this effect.
This work reviews the essential physics of the model and compares its
predictions to fi... | 1910.03654v1 |
2019-10-09 | Understanding plasticity in zirconium using in-situ measurement of lattice rotations | Understanding deformation in polycrystalline metals is critical to use them
in high-value high-risk applications. We present in-situ characterisation of
plastic deformation of zirconium, a hexagonal closed packed (HCP), metal.
Analysis of plastic deformation is performed using electron backscatter
diffraction (EBSD) to... | 1910.04187v1 |
2019-10-11 | Branching of twins in shape memory alloys revisited | We study the branching of twins appearing in shape memory alloys at the
interface between austenite and martensite. In the framework of
three-dimensional non-linear elasticity theory, we propose an explicit,
low-energy construction of the branched microstructure, generally applicable to
any shape memory material withou... | 1910.05235v1 |
2019-10-22 | Post-Heat Treatment Design of High-Strength Low-Alloy Steels Processed by Laser Powder Bed Fusion | In this study, a post-heat treatment design for additively manufactured
copper-bearing high-strength low-alloy (HSLA)-100 steel is performed by
understanding the process-structure-property relationships. Hot isostatic
pressing (HIP) is designed to reduce the porosity from 3% to less than 1% for
the HSLA-100 steel proce... | 1910.09939v3 |
2012-09-01 | Spin-Hall Effect and Diamagnetism of Dirac Electrons | Spin-Hall conductivity (SHC) of fully relativistic (4x4 matrix) Dirac
electrons is studied based on the Kubo formula aiming at possible application
to bismuth and bismuth-antimony alloys. It is found that there are two distinct
contributions to SHC, one only from the states near the Fermi energy and the
other from all ... | 1209.0092v1 |
2012-09-07 | Influence of severe plastic deformation on the precipitation hardening of a FeSiTi steel | The combined strengthening effects of grain refinement and high precipitated
volume fraction (~6at.%) on the mechanical properties of FeSiTi alloy subjected
to SPD processing prior to aging treatment were investigated by atom probe
tomography and scanning transmission electron microscopy. It was shown that the
refineme... | 1209.1608v1 |
2012-09-14 | Concentration dependence in kinetic arrest of first order magnetic transition in Ta doped $HfFe_2$ | Magnetic behavior of the pseudo-binary alloy $Hf_{1-x}Ta_xFe_2$ has been
studied, for which the zero field ferromagnetic (FM) to antiferromagnetic (AFM)
transition temperature is tuned near to T=0 K. These alloys show anomalous
thermomagnetic irreversibility at low temperature due to kinetic arrest of the
first order A... | 1209.3177v1 |
2012-09-15 | Work hardening behavior in a steel with multiple TRIP mechanisms | Transformation induced plasticity (TRIP) behavior was studied in steel with
composition Fe-0.07C-2.85Si-15.3Mn-2.4Al-0.017N that exhibited two TRIP
mechanisms. The initial microstructure consisted of both {\epsilon}- and
{\alpha}-martensites with 27% retained austenite. TRIP behavior in the first 5%
strain was predomin... | 1209.3410v1 |
2012-09-21 | Dominant itinerant ferromagnetism in Eu0.5Sr0.5CoO3: evidences from both critical analysis and Rhodes-Wohlfarth's criterion | The critical behaviors of ferromagnet Eu0.5Sr0.5CoO3 arround TC=140.5K have
been comprehensively investigated by analyzing a series of isothermal
magnetization M(H) curves. Both Modified Arrott plot and Kouvel-Fisher methods
give nearly the same critical exponents, which scale nicely the M(H) curves
into two different ... | 1209.4790v2 |
2012-09-28 | Evaluating the role of Lead In A Novel Ternary Catalysts For DMFCs | The current density at lower potential is highly desirable in fuel cell
technology and crucial center point for designing a new catalyst. By alloying
platinum with various other metals, the improvisation of the fuel cell catalyst
has achieved a lot of attention and interests. In this article, a novel porous
ternary all... | 1209.6629v1 |
2014-06-06 | Near-forward Raman study of a phonon-polariton reinforcement regime in the Zn(Se,S) alloy | We investigate by near-forward Raman scattering a presumed reinforcement of
the (A-C,B-C)-mixed phonon-polariton of a A1-xBxC zincblende alloy when
entering its longitudinal optical (LO-)regime near the Brillouin zone centre
{\Gamma}, as predicted within the formalism of the linear dielectric response.
A choice system ... | 1406.1763v2 |
2014-06-09 | Diffusion behavior in Nickel-Aluminium and Aluminium-Uranium diluted alloys | Impurity diffusion coefficients are entirely obtained from a low cost
classical molecular statics technique (CMST). In particular, we show how CMST
is appropriate in order to describe the impurity diffusion behavior mediated by
a vacancy mechanism. In the context of the five-frequency model, CMST allows to
calculate al... | 1406.2239v1 |
2014-06-10 | Skew scattering in dilute ferromagnetic alloys | The challenging problem of skew scattering for Hall effects in dilute
ferromagnetic alloys, with intertwined effects of spin-orbit coupling,
magnetism and impurity scattering, is studied here from first principles. Our
main aim is to identify chemical trends and work out simple rules for large
skew scattering in terms ... | 1406.2712v2 |
2018-02-03 | Magnon scattering in the transport coefficients of CoFe alloys | Resistivity $\rho$, thermopower ${\cal S}$, and thermal conductivity $\kappa$
were measured simultaneously on a set of CoFe alloy films. Variation of the
Co-content $x_\mathrm{Co}$ allows for a systematic tuning of the Fermi level
through the band structure, and the study of the interplay between electronic
and magneti... | 1802.01038v1 |
2018-02-26 | Evolution of passive film behavior on mechanically polished NiTi shape memory alloy during forward martensitic transformation | The corrosion property of Nickel-titanium (NiTi) shape memory alloy is
investigated during forward martensitic transformation between 40C and 0C. The
Differential Scanning Calorimetry technique is used to find the forward and
reverse martensitic transformation temperatures. NiTi shows the present of
martensitic phase a... | 1802.09606v2 |
2018-08-10 | Pattern Learning Electronic Density of States | Electronic density of states (DOS) is a key factor in condensed matter
physics and material science that determines the properties of metals.
First-principles density-functional theory (DFT) calculations have typically
been used to obtain the DOS despite the considerable computation cost. Herein,
we report a fast patte... | 1808.03383v1 |
2018-12-06 | Crack Growth Behavior in NiTi Shape Memory Alloys Under Mode-I Isothermal Loading: Effect of Stress State | Fracture behavior in nickel-titanium (NiTi) shape memory alloys (SMAs)
subjected to mode-I, isothermal loading is studied using finite element
analysis (FEA). Compact tension (CT) SMA specimen is modeled in Abaqus finite
element suite and crack growth under displacement boundary condition is
investigated for plane stra... | 1812.02362v1 |
2018-12-13 | A Finite Strain Constitutive Model Considering Transformation Induced Plasticity for Shape Memory Alloys under Cyclic Loading | Many engineering applications of Shape Memory Alloys (SMAs) involve passing
back and forth through phase transformation many times. Repeated phase
transformation develops permanent deformations originating from the significant
distortion that phase transformation induces at the austenite-martensite
interfaces and grain... | 1812.05695v2 |
2018-12-15 | Enabling visible-light absorption and p-type doping in In2O3 by adding Bi | In2O3 is a prototype wide-band-gap semiconductor that exhibits metallic
conductivity when highly doped with Sn while retaining a high degree of
transparency to visible light. It is widely used as a transparent
window/electrode in solar cells and LEDs. The functionality of In2O3 would be
greatly extended if p-type condu... | 1812.06353v1 |
2018-12-18 | The role of β-titanium ligaments in the deformation of dual phase titanium alloys | Multiphase titanium alloys are critical materials in high value engineering
components, for instance in aero engines. Microstructural complexity is
exploited through interface engineering during mechanical processing to realise
significant improvements in fatigue and fracture resistance and strength. In
this work, we e... | 1812.07250v2 |
2018-12-20 | Charge Density Wave Modulation in Superconducting BaPbO$_3$/BaBiO$_3$ Superlattices | The isotropic, non-magnetic doped BaBiO$_3$ superconductors maintain some
similarities to high-Tc cuprates, while also providing a cleaner system for
isolating charge density wave (CDW) physics that commonly competes with
superconductivity. Artificial layered superlattices offer the possibility of
engineering the inter... | 1812.08589v1 |
2019-02-12 | Suppression of Shastry-Sutherland phase driven by electronic concentration reduction in magnetically frustrated Ce$_2$Pd$_2$Sn$_{1-y}$In$_y$ alloys | Shastry-Sutherland lattice was observed as alternative ground state in Rare
Earth intermetallic with Mo$_2$B$_2$Fe and U$_2$Pt$_2$Sn anisotropic structures
where magnetic frustration is favored. In the case of Ce$_2$Pd$_2$Sn, it was
shown that such phase can be suppressed by the application of magnetic field
and, in th... | 1902.04540v1 |
2019-02-03 | Design of Face Centered Cubic Co81.8Si9.1B9.1 with High Magnetocrystalline Anisotropy | Despite the composition close to glassy forming alloys, face centered cubic
(FCC) Co81.8Si9.1B9.1, designed based on Co9B atomic cluster (polyhedral), are
synthesized as singlephase ribbons successfully. These ribbons, with grain
sizes of ca. 92 nm, show supreme ductility and strong orientation along (111),
which coupl... | 1902.05120v1 |
2019-02-20 | Beyond scaling relations for the description of catalytic materials | Computational screening for new and improved catalyst materials relies on
accurate and low-cost predictions of key parameters such as adsorption
energies. Here, we use recently developed compressed sensing methods to
identify descriptors whose predictive power extends over a wide range of
adsorbates, multi-metallic tra... | 1902.07495v1 |
2019-02-23 | Competitive B2 and B33 Nucleation during Solidification of Ni50Zr50 Alloy: Molecular Dynamics Simulation and Classical Nucleation Theory | We investigated the homogenous nucleation of the stoichiometric B2 and B33
phases in the Ni50Zr50 alloy using the persistent embryo method and the
classical nucleation theory. The two phases become very close competitors at
large supercoolings, which is consistent with the experimental observations. In
the case of the ... | 1902.08865v1 |
2019-06-03 | Bismuth-doped Ga2O3 as candidate for p-type transparent conducting material | Gallium oxide (Ga2O3) is a wide-band-gap semiconductor promising for UV
sensors and high power transistor applications, with Baliga's figure of merit
that far exceeds those of GaN and SiC, second only to diamond. Engineering its
band structure through alloying will broaden its range of applications. Using
hybrid densit... | 1906.00840v1 |
2019-06-08 | Lifschitz tail for alloy-type models driven by the fractional Laplacian | We establish precise asymptotics near zero of the integrated density of
states for the random Schr\"{o}dinger operators $(-\Delta)^{\alpha/2} +
V^{\omega}$ in $L^2(\mathbb R^d)$ for the full range of $\alpha\in(0,2]$ and a
fairly large class of random nonnegative alloy-type potentials $V^{\omega}$.
The IDS exhibits the... | 1906.03419v1 |
2019-06-12 | Unfolding the complexity of quasi-particle physics in disordered materials | The concept of quasi-particles forms the theoretical basis of our microscopic
understanding of emergent phenomena associated with quantum mechanical
many-body interactions. However, quasi-particle theory in disordered materials
has proven difficult, resulting in the predominance of mean-field solutions.
Here we report ... | 1906.04945v1 |
2019-06-14 | Possibility of suppression of the formation of solute-enriched clusters | Based on the earlier proposed mechanism of formation of solute-enriched
clusters in irradiated pressure vessel steels, it has been demonstrated that it
is possible to suppress this process by the method of light alloying of PVS
with a chemical element with specially selected properties such as solubility,
activity, and... | 1906.06030v1 |
2019-06-16 | Polytetrahedral short-range order and crystallization stability in supercooled ${\rm Cu_{64.5}Zr_{35.5}}$ metallic liquid | Development of reliable interatomic potentials is crucial for theoretical
studies of relationship between chemical composition, structure and observable
properties in glass-forming metallic alloys. Due to ambiguity of potential
parametrization procedure, some crucial properties of the system, such as
crystallization st... | 1906.06689v1 |
2019-06-17 | Photorealistic modelling of metals from first principles | The colours of metals have attracted the attention of humanity since ancient
times, and coloured metals, in particular gold compounds, have been employed
for tools and objects symbolizing the aesthetics of power. In this work we
develop a comprehensive framework to obtain the reflectivity and colour of
metals, and show... | 1906.06942v1 |
2019-06-28 | Variance reduction for effective energies of random lattices in the Thomas-Fermi-von Weizsäcker model | In the computation of the material properties of random alloys, the method of
"special quasirandom structures" attempts to approximate the properties of the
alloy on a finite volume with higher accuracy by replicating certain statistics
of the random atomic lattice in the finite volume as accurately as possible. In
the... | 1906.12245v1 |
2020-04-09 | Prediction of mechanical properties of non-equiatomic high-entropy alloy by atomistic simulation and machine learning | High-entropy alloys (HEAs) with multiple constituent elements have been
extensively studied in the past 20 years due to their promising engineering
application. Previous experimental and computational studies of HEAs focused
mainly on equiatomic or near equiatomic HEAs. However, there is probably far
more treasure in t... | 2004.04439v1 |
2020-04-10 | Alloying V in MnBi$_2$Te$_4$ for Robust Ferromagnetic Coupling and Quantum Anomalous Hall Effect | The intrinsic antiferromagnetic (AFM) interlayer coupling in two-dimensional
magnetic topological insulator MnBi$_2$Te$_4$ places a restriction on realizing
stable quantum anomalous Hall effect (QAHE) [Y. Deng et al., Science 367, 895
(2020)]. Through density functional theory calculations, we demonstrate the
possibili... | 2004.04862v2 |
2020-04-17 | Electromigration-guided composition patterns in thin alloy films: a computational study | Via computation of a continuum dynamical model of the diffusion and
electromigration, this paper demonstrates the feasibility of guiding the
formation of the stripe composition patterns in the thin surface layers of the
crystal alloy films. By employing the systematic parametric computational
analysis it is revealed ho... | 2004.08314v1 |
2020-04-20 | Stochastic Peierls-Nabarro Model for Dislocations in High Entropy Alloys | High entropy alloys (HEAs) are single phase crystals that consist of random
solid solutions of multiple elements in approximately equal proportions. This
class of novel materials have exhibited superb mechanical properties, such as
high strength combined with other desired features. The strength of crystalline
material... | 2004.09375v1 |
2020-05-06 | Two-Dimensional Rare Earth -- Gold Intermetallic Compounds on Au(111) by Surface Alloying | Surface alloying is a straightforward route to control and modify the
structure and electronic properties of surfaces. Here, We present a
systematical study on the structural and electronic properties of three novel
rare earth-based intermetallic compounds, namely ReAu2 (Re = Tb, Ho, and Er),
on Au(111) via directly de... | 2005.02660v1 |
2020-05-07 | Origin of the Significant Impact of Ta on the Creep Resistance of FeCrNi Alloys | Heat resistant FeCrNi alloys are widely used in the petrochemical industry
because they exhibit a unique combination of creep and oxidation resistance at
temperatures exceeding 900$^\circ$C. Their creep properties are often optimized
by micro-additions of carbide forming elements. In the present work, the
influence of ... | 2005.03309v1 |
2020-05-07 | Intragranular nucleation of tetrahedral precipitates and discontinuous precipitation in Cu-5wt%Ag | Both continuous and discontinuous precipitation is known to occur in CuAg
alloys. The precipitation of Ag-rich phase has been experimentally investigated
by atom probe tomography and transmission electron microscopy after ageing
treatment of Cu-5%wtAg at 440$^\circ$C during 30'. Both continuously and
discontinuously fo... | 2005.03313v1 |
2020-05-09 | Spectral Neural Network Potentials for Binary Alloys | In this work, we present a numerical implementation to compute the atom
centered descriptors introduced by Bartok et al (Phys. Rev. B, 87, 184115,
2013) based on the harmonic analysis of the atomic neighbor density function.
Specifically, we focus on two types of descriptors, the smooth SO(3) power
spectrum with the ex... | 2005.04332v2 |
2020-05-09 | Elinvar effect in $β-$Ti simulated by on-the-fly trained moment tensor potential | A combination of quantum mechanics calculations with machine learning (ML)
techniques can lead to a paradigm shift in our ability to predict materials
properties from first principles. Here we show that on-the-fly training of an
interatomic potential described through moment tensors provides the same
accuracy as state-... | 2005.04375v1 |
2020-05-27 | Spin-valley dynamics in alloy-based transition metal dichalcogenide heterobilayers | Van der Waals heterobilayers based on 2D transition metal dichalcogenides
have been recently shown to support robust and long-lived valley polarization
for potential valleytronic applications. However, the role of the band
structure and alignment of the constituent layers in the underlying dynamics
remains largely unex... | 2005.13306v2 |
2020-08-17 | Giant Magnetic-Field-Induced Strain in Ni2MnGa-based polycrystal | Ferromagnetic Ni2MnGa-based alloys play an important role in technological
fields, such as smart actuators, magnetic refrigeration and robotics. The
possibility of obtaining large non-contact deformation induced by an external
perturbation is one of its key strengths for applications. However, the search
for materials ... | 2008.07569v1 |
2020-08-18 | First-principles study of exchange coupling constants in Nd$_x$Fe$_{1-x}$ amorphous alloy | We investigate the exchange coupling constant $J_{ij}$ in Nd$_x$Fe$_{1-x}$
amorphous alloys with different compositions within the framework of
first-principles calculation. We observed a strong atomic-dependence of
$J_{ij}$ and its fluctuations. We show that the composition strongly affects
the distance dependence of ... | 2008.07735v1 |
2020-08-19 | Analysis of Phase Formations and Mechanical Properties in Complex Concentrated Alloys by Machine Learning Approach | The mechanical properties of complex concentrated alloys (CCAs) depend on
their forming phases and corresponding structures, the prediction of the phase
formation for a given CCA is essential to its discovery and applications. 541
sample were collected from previous studies, comprising 61 amorphous, 164
single-phase cr... | 2008.08341v1 |
2020-08-26 | Accurate Deep Potential model for the Al-Cu-Mg alloy in the full concentration space | Combining first-principles accuracy and empirical-potential efficiency for
the description of the potential energy surface (PES) is the philosopher's
stone for unraveling the nature of matter via atomistic simulation. This has
been particularly challenging for multi-component alloy systems due to the
complex and non-li... | 2008.11795v2 |
2021-03-02 | Neural evolution structure generation: High Entropy Alloys | We propose a method of neural evolution structures (NESs) combining
artificial neural networks (ANNs) and evolutionary algorithms (EAs) to generate
High Entropy Alloys (HEAs) structures. Our inverse design approach is based on
pair distribution functions and atomic properties and allows one to train a
model on smaller ... | 2103.01462v1 |
2021-03-02 | Single Alloy Nanoparticle X-Ray Imaging during a Catalytic Reaction | The imaging of active nanoparticles represents a milestone in decoding
heterogeneous catalysts dynamics. We report the facet resolved, surface strain
state of a single PtRh alloy nanoparticle on SrTiO3 determined by coherent
x-ray diffraction imaging under catalytic reaction conditions. Density
functional theory calcul... | 2103.01573v1 |
2021-03-07 | Amorphous complexions alter the tensile failure of nanocrystalline Cu-Zr alloys | Grain boundary-based mechanisms are known to control the plastic deformation
and failure of nanocrystalline metals, with manipulation of the boundary
structure a promising path for tuning this response. In this study, the role of
interfacial structural disorder on plasticity and failure of nanocrystalline
Cu-Zr alloys ... | 2103.04465v2 |
2021-03-09 | The Laser-Diode Heated Floating Zone Method for Automated Optimal Synthesis of Refractory Oxides and Alloys | We perform an experimental investigation of the synthesis of complex
materials using the Laser-diode heated floating zone method (L-FZ). We will
briefly introduce the Infrared-heated floating zone method of bulk crystal
growth and then delve into recent advances in using a Laser-diode heated
floating zone method. We de... | 2103.05587v1 |
2021-03-12 | Anomalous broadening of specific heat jump at Tc in high-entropy-alloy-type superconductor TrZr2 | A high-entropy-alloy-type (HEA-type) superconductor is new category of highly
disordered superconductors. Therefore, finding brand-new superconducting
characteristics in the HEA-type superconductors would open new avenue to
investigate the relationship between structural disorder and superconductivity.
Here, we report ... | 2103.07217v1 |
2021-03-15 | The importance of overcoming MOVPE surface evolution instabilities for >1.3 $μ$m metamorphic lasers on GaAs | We investigated and demonstrated a 1.3 $\mu$m-band laser grown by
metalorganic vapour phase epitaxy (MOVPE) on a specially engineered metamorphic
parabolic graded In$_x$Ga$_{1-x}$As buffer and epitaxial structure on a GaAs
substrate. Bottom and upper cladding layers were built as a combination of
AlInGaAs and InGaP all... | 2103.08267v1 |
2021-03-21 | Investigating the electronic origins of the repulsion between substitutional and interstitial solutes in hcp Ti | The high solubility of oxygen in Ti, Zr and Hf makes it difficult to
stabilize the protective oxide scales on their surfaces as the subsurface
regions can serve as boundless sinks that continuously dissolve oxygen.
Alloying elements are crucial to reduce the oxygen solubility and diffusivity
within early transition met... | 2103.11490v1 |
2021-03-23 | Improvement of local critical current density of REBa2Cu3O7-d by the increase in configurational entropy of mixing at the RE site | REBa2Cu3O7-d (RE123, RE: rare earth) is one of the high-temperature
superconductors with a transition temperature (Tc) exceeding 90 K. Because of
its high Tc and large critical current density (Jc) under magnetic fields,
RE123 superconductors have been expected to play a key role in
superconductivity application. To ac... | 2103.12261v1 |
2021-03-23 | Chemical requirements for stabilizing type-II Weyl points in MnBi2-xSbxTe4 | We show that type-II Weyl point formation in MnBi2-xSbxTe4 is more likely
than in MnBi2Te4 when x reaches 0.5, as the alloy case does not suffer from the
same degree of lattice parameter sensitivity as in MnBi2Te4. To further
substantiate the stability of type-II Weyl points in MnBi2-xSbxTe4, we
demonstrate that among ... | 2103.12730v2 |
2021-03-25 | Formation of Fractal Dendrites by Laser induced melting of Aluminum Alloys | We report on the fabrication of fractal dendrites by laser induced melting of
aluminum alloys. We target boron carbide (B4C) that is one of the most
effective radiation-absorbing materials which is characterised by a low
coefficient of thermal expansion. Due to the high fragility of B4C crystals we
were able to introdu... | 2103.13643v1 |
2021-03-25 | Tribochemistry, mechanical alloying, mechanochemistry: what is in a name? | Over the decades, the application of mechanical force to influence chemical
reactions has been called by various names: mechanochemistry, tribochemistry,
mechanical alloying, to name but a few. The evolution of these terms has
largely mirrored the understanding of the field. But what is meant by these
terms, why have t... | 2103.13836v1 |
2021-03-31 | Slip band interactions and GND latent hardening in a galling resistant stainless steel | Slip activation, slip band interactions, and GND densities in iron-base,
galling resistant alloy Nitronic 60 have been characterised at the grain length
scale using small-scale mechanical testing with high resolution digital image
correlation and high-angular resolution electron backscatter diffraction. By
correlating ... | 2103.16864v1 |
2022-02-02 | Structural and Magnetic Properties of Fe-Al alloys: an Ab initio Studies | In the framework of density functional theory, the structural and magnetic
properties of Fe$_{100-x}$Al$_x$ alloys (${5 \leq x \leq 25}$~at.\%) with the
different structural order are investigated. Using the Korringa-Kohn-Rostoker
Green's function method with a coherent potential approximation, the
equilibrium lattice ... | 2202.00978v1 |
2022-02-02 | Nonlinear deformation and elasticity of BCC refractory metals and alloys | Application of isotropic pressure or uniaxial strain alters the elastic
properties of materials; sufficiently large strains can drive structural
transformations. Linear elasticity describes stability against infinitesimal
strains, while nonlinear elasticity describes the response to finite
deformations. It was previous... | 2202.01055v2 |
2022-02-19 | Atomistic simulations of the deformation behavior of an Nb nanowire embedded in a NiTi shape memory alloy | The influence of pre-strain and temperature on the superior properties
exhibited by an Nb nanowire embedded in a NiTi shape memory alloy (SMA) are
investigated via molecular dynamics simulations. To this end, a new Nb-Ni-Ti
ternary interatomic potential based on the second nearest-neighbor modified
embedded-atom method... | 2202.09586v1 |
2022-02-24 | Thermodynamics for Nonlinearity under Hidden Structure Information | For substitutional alloys, typically refered to as classical discrete systems
under constant composition, we theoretically examine the role of hidden
structure information on evolution of nonlinearity (i.e., correspondence
between a set of potential energy surface and that of many-body interaction) in
canonical ensembl... | 2202.11863v1 |
2022-02-25 | Estimation of Grüneisen parameter of high-entropy-alloy-type functional materials | In functional materials like thermoelectric materials and superconductors,
the interplay between functionality, electronic structure, and phonon
characteristics is one of the key factors to improve functionality and to
understand the mechanisms. In the first part of this article, we briefly review
investigations on lat... | 2202.12516v1 |
2022-02-25 | Alloying Ratio Versus Cluster Size for Reversible Hydrogen Storage in Ni Doped Small Mg Clusters: Dispersion Corrected DFT Study | Dispersion corrected density functional theory ($\omega$B97X-D DFT) method is
used to study the molecular hydrogen adsorption in $Ni_nMg_m$ $(1\geq n\geq
3,1\geq m\geq9)$ clusters. All these clusters can effectively adsorb multiple
$H_2$ in the preferred binding energy (BE) range between physisorption and
chemisorption... | 2202.12551v1 |
2022-03-03 | Identification of active slip systems in polycrystals by Slip Trace -- Modified Lattice Rotation Analysis (ST-MLRA) | A simple and versatile strategy, denominated Slip Trace - Modified Lattice
Rotation Analysis (ST-MLRA), is presented to enable the identification of the
active slip systems in polycrystalline alloys from surface information. The
slip plane trace orientation is used to define the potential active slip planes
while the a... | 2203.01476v1 |
2022-03-03 | First-principles calculations of the surface states of doped and alloyed topological materials via band unfolding method | One of the most remarkable characteristics of topological materials is that
they have special surface states, which are determined by the topological
properties of their bulk materials. The angle resolved photoemission
spectroscopy (ARPES) is a powerful tool to explore the surface states, which
allows to further invest... | 2203.01569v1 |
2022-03-21 | Thermodynamic descriptors to predict oxide formation in aqueous solutions | We formulate the maximum driving force (MDF) parameter as a descriptor to
capture the thermodynamic stability of aqueous surface scale creation over a
range of environmental conditions. We use formation free energies, $\Delta_f
G$s, sourced from high-throughput density functional theory (DFT) calculations
and experimen... | 2203.11013v1 |
2016-03-01 | Real-space cluster dynamical mean-field approach to the Falicov-Kimball model: An alloy-analogy approach | It is long known that the best single-site coherent potential approximation
(CPA) falls short of describing Anderson localization (AL). Here, we study a
binary alloy disorder (or equivalently, a spinless Falicov-Kimball (FK)) model
and construct a dominantly analytic cluster extension that treats intra-cluster
($1/d$, ... | 1603.00301v4 |
2016-03-23 | Superconductivity of Ta34Nb33Hf8Zr14Ti11 high entropy alloy from first principles calculations | The Korringa-Kohn-Rostoker method with the coherent potental approximation
(KKR-CPA) is applied to study the first superconducting high entropy alloy
(HEA) Ta34Nb33Hf8Zr14Ti11 (discovered in 2014 with Tc = 7.3 K), focusing on
estimations of the electron-phonon coupling constant \lambda. Electronic part
of \lambda has b... | 1603.07274v1 |
2016-03-25 | Synthesizing Skyrmion Molecules in Fe-Gd Thin Films | We show that properly engineered amorphous Fe-Gd alloy thin films with
perpendicular magnetic anisotropy exhibit room-temperature skyrmion molecules,
or a pair of like-polarity, opposite-helicity skyrmions. Magnetic mirror
symmetry planes present in the stripe phase, instead of chiral exchange,
determine the internal s... | 1603.07882v2 |
2016-03-29 | Direct Evidence for Suppression of the Kondo Effect due to Pure Spin Current | We study the effect of a pure spin current on the Kondo singlet in a diluted
magnetic alloy using non-local lateral spin valve structures with highly spin
polarized Co2FeSi electrodes. Temperature dependence of the non-local spin
signals shows a sharp reduction with decreasing temperature, followed by a
plateau corresp... | 1603.08599v1 |
2016-03-29 | Role of Sn impurity on electronic topological transitions in 122 Fe-based superconductors | We show that only a few percentage of Sn doping at the Ba site on
BaFe$_2$As$_2$, can cause electronic topological transition, namely, the
Lifshitz transition. A hole like d$_{xy}$ band of Fe undergoes electron like
transition due to 4\% Sn doping. Lifshitz transition is found in BaFe$_2$As$_2$
system around all the hi... | 1603.08772v1 |
2016-11-30 | Nanocrystalline Al-Mg with extreme strength due to grain boundary doping | Nanocrystalline Al-Mg alloys are used to isolate the effect of grain boundary
doping on the strength of nanostructured metals. Mg is added during mechanical
milling, followed by low homologous temperature annealing treatments to induce
segregation without grain growth. Nanocrystalline Al -7 at.% Mg that is
annealed for... | 1612.00049v2 |
2016-12-01 | Semiconductor, topological semimetal, indirect semimetal, and topological Dirac semimetal phases of Ge$_{1-x}$Sn$_{x}$ alloys | Electronic structures of Ge$_{1-x}$Sn$_{x}$ alloys (0 $\leq$ $x$ $\leq$ 1)
are theoretically studied by nonlocal empirical pseudopotential method. For
relaxed Ge$_{1-x}$Sn$_{x}$, a topological semimetal is found for $\textit x$
$>$ 41$\%$ with gapless and band inversion at ${\Gamma}$ point, while there is
an indirect-d... | 1612.00159v2 |
2016-12-11 | Revisiting Jackson-Hunt calculations: Unified theoretical analysis for generic multi-phase growth in a multi-component system | A straight-forward extension of the Jackson-Hunt theory for directionally
solidifying multi-phase growth where the number of components exceeds the
number of solid phases becomes difficult on account of the absence of the
required number of equations to determine the boundary layer compositions ahead
of the interface. ... | 1612.03376v1 |
2016-12-20 | Fitting of structural parameters to small angle neutron scattering data for nickel-chromium-aluminum alloy in frames of quantum mechanics and classic models of polydispersed spheres | Modified Yukawa's potential is used to fit model parameters of nucleus to the
small angle thermal neutron scattering data on the nickel-chromium-aluminum
alloy at the transferred momentum $Q$ and effective nucleus radius $R$
production satisfied by condition $Q R \le \hbar$. Analytical polydisperse
sphere model is used... | 1612.09115v1 |
2017-02-10 | Thermal vacancy formation energies of random solid solutions | Vacancy mechanism plays a dominant role in the atomic migration when a
close-packed disordered alloy undergoes ordering transition. However, the
calculation of thermal vacancy formation energies (VFEs) of random solid
solutions is usually cumbersome due to the difficulty in considering various
local atomic environments... | 1702.03104v1 |
2017-02-13 | Size-effect of Kondo scattering in point contacts (revisited) | The size-effect of Kondo-scattering in nanometer-sized metallic point
contacts is measured with the simplified, mechanically-controlled
break-junction technique for CuMn alloy of different Mn concentrations: 0.017;
0.035; and 0.18 ($\pm$0.017) at.\%. The results are compared with our previous
publication on nominally 0... | 1702.03827v1 |
2017-02-14 | Full Electroresistance Modulation in a Mixed-Phase Metallic Alloy | We report a giant, ~22%, electroresistance modulation for a metallic alloy
above room temperature. It is achieved by a small electric field of 2 kV/cm via
piezoelectric strain-mediated magnetoelectric coupling and the resulting
magnetic phase transition in epitaxial FeRh/BaTiO3 heterostructures. This work
presents deta... | 1702.04306v1 |
2017-02-15 | Synthesis and Hydrogen Sorption Characteristics of Mechanically Alloyed Mg(NixMn1-x)2 Intermetallics | New ternary Mg-Ni-Mn intermetallics have been successfully synthesized by
High Energy Ball Milling (HEBM) and have been studied as possible materials for
efficient hydrogen storage applications. The microstructures of the as-cast and
milled alloys were characterized by means of X-ray Powder Diffraction (XRD) and
Scanni... | 1702.04807v1 |
2017-02-16 | Nonequilibrium transport and Electron-Glass effects in thin GexTe films | We report on results of nonequilibrium transport measurements made on thin
films of germanium-telluride (Ge_xTe) at cryogenic temperatures. Owing to a
rather large deviation from stoichiometry (app. 10% of Ge vacancies), these
films exhibit p-type conductivity with carrier-concentration N>10^20cm^(-3) and
can be made e... | 1702.04876v1 |
2017-02-27 | Intermetallic Nanocrystals: Syntheses and Catalytic Applications | At the forefront of nanochemistry, there exists a research endeavor centered
around intermetallic nanocrystals, which are unique in terms of long-range
atomic ordering, well-defined stoichiometry, and controlled crystal structure.
In contrast to alloy nanocrystals with no atomic ordering, it has been
challenging to syn... | 1702.08137v2 |
2017-06-12 | Superconductivity and its Enhancement under High Pressure in "F-free" Single Crystals of CeOBiS$_2$ | "F-free" CeOBiS$_2$ single crystals have successfully grown, thoroughly
eliminating a concern about F-contamination by using a high-purity CsCl flux.
The obtained crystals have a plate-like shape with a size of 1.0-3.0 mm in the
well-developed plane. Single crystal X-ray structural analysis clearly revealed
that the Ce... | 1706.03590v1 |
2017-06-24 | Microscopic structure differences in CZTSe quaternary alloys prepared by different techniques revealed by spatially-resolved laser-induced-modification Raman spectroscopy | While producing comparable efficiencies and showing similar properties when
probed by conventional techniques, such as Raman, photoluminescence and X-ray
diffraction, two thin film solar cell materials with complex structures, such
as quaternary compound CZTSe, may in fact differ significantly in their
microscopic stru... | 1706.08000v1 |
2017-06-29 | Effect of Anodizing Parameters on Corrosion Resistance of Coated Purified Magnesium | Magnesium and its alloys are being considered for biodegradable biomaterials.
However, high and uncontrollable corrosion rates have limited the use of
magnesium and its alloys in biological environments. In this research, high
purified magnesium (HP-Mg) was coated with stearic acid in order to improve the
corrosion res... | 1706.09547v1 |
2017-10-04 | Tracking a hysteretic and disorder-broadened phase transition via the electromagnon response in improper ferroelectrics | We demonstrate that electromagnons can be used to directly probe the nature
of a phase transition between magnetically ordered phases in an improper
ferroelectric. The antiferromagnetic/paraelectric to
antiferromagnetic/ferroelectric phase transition in Cu$_{1-x}$Zn$_{x}$O ($x=0,
0.05$) alloys was tracked via the elect... | 1710.01573v1 |
2017-10-13 | Atomic force microscopy of transformation toughening in ceria-stabilized zirconia | We demonstrate in this paper that atomic force microscopy can be successfully
used to gain further insights into the understanding of transformation
toughening in ceria stabilized zirconia. Transformation was induced by stresses
accumulated in the region surrounding propagating cracks in double torsion
samples. The res... | 1710.04918v1 |
2017-10-19 | The Structural Origin of Enhanced Dynamics at the Surface of a Glassy Alloy | The enhancement of mobility at the surface of an amorphous alloy is studied
using a combination of molecular dynamic simulations and normal mode analysis
of the non-uniform distribution of Debye-Waller factors. The increased mobility
at the surface is found to be associated with the appearance of Arrhenius
temperature ... | 1710.06976v1 |
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