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2021-05-22 | Correlation between anion defects and ion beam induced luminescence in Y4Zr3O12 | Potential applications of Zr/Al ODS alloys vests on the irradiation stability
of the Y4Zr3O12 dispersoids. Fundamental studies to identify the type of
defects are important in order to recognize pathways for damage alleviation. In
this context, studies relating to identification of point defects and their
clusters by i... | 2105.10773v1 |
2021-05-25 | Review of Sulphur Interaction based GaAs Surface Passivation and Its Potential Application in Magnetic Tunnel Junction (MTJ) based Molecular Spintronics Devices (MTJMSD) | GaAs surface is characterized by a high density of surface states, which
preclude the utilization of this semiconducting material for the realization of
several advanced devices. Sulfur-based passivation has been found significantly
useful in reducing the effect of dangling bonds. In this article first, the
problem ass... | 2105.11638v1 |
2021-05-27 | Hermetic chip-scale packaging using Au:Sn eutectic bonding for implantable devices | Advancements in miniaturisation and new capabilities of implantable devices
impose a need for the development of compact, hermetic, and CMOS-compatible
micro packaging methods. Gold-tin-based eutectic bonding presents the potential
for achieving low-footprint seals with low permeability to moisture at process
temperatu... | 2105.13156v1 |
2021-05-27 | Characterization of band offsets in Al$_x$In$_{1-x}$As$_y$Sb$_{1-y}$ alloys with varying Al composition | The unprecedented wide bandgap tunability (~1 eV) of
Al$_x$In$_{1-x}$As$_y$Sb$_{1-y}$ latticed-matched to GaSb enables the
fabrication of photodetectors over a wide range from near-infrared to
mid-infrared. In this paper, the valence band-offsets in AlxIn1-xAsySb1-y with
different Al compositions are analyzed by tight-... | 2105.13187v1 |
2021-05-31 | Effect of Zr and Al Addition on Nanocluster Formation in Oxide Dispersion Strenghthened Steel-an ab initio Study | Conventional Oxide dispersion strengthened steels are characterized by
thermally stable, high density of Y-Ti-O nanoclusters, which are responsible
for their high creep strength. Ti plays a major role in obtaining a high
density of ultrafine particles of optimum size range of 2-10 nm. In
Al-containing ODS steels develo... | 2105.15063v1 |
2021-06-01 | Superconducting ground state of nonsymmorphic superconducting compound Zr$_{2}$Ir | The nonsymmorphic Zr$_{2}$Ir alloy is a possible topological semimetal
candidate material and as such may be part of an exotic class of
superconductors. Zr$_{2}$Ir is a superconductor with a transition temperature
of 7.4 K with critical fields of 19.6(3) mT and 3.79(3) T, as determined by
heat capacity and magnetisatio... | 2106.00268v1 |
2021-06-03 | Formation and characterization of an Al-rich metastable phase in Al-B phase diagram | Vacuum heat treatment of mechanically-alloyed powders of boron and aluminum
leads to formation of a metastable Al-rich phase, which can be quenched. Its
structure, composition, and thermal stability are established. With chemical
formula Al1.28B the rhombohedral phase is unusually rich in Al. Parameters of
the unit cel... | 2106.02070v1 |
2021-06-07 | Protracting the Weyl phase by a giant negative lattice expansion in Bi doped Sm$_2$Ir$_2$O$_7$ | We show that the Weyl phase in $\rm Sm_2Ir_2O_7$ is protracted up to at least
2~\% alloying with Bi by an anomalous negative lattice expansion with $\rm
\Delta a \sim- 0.01$\AA. With further doping, the magnetic ordering disappears
and electrical resistivity decreases by orders of magnitude; the resistivity
upturn rema... | 2106.03512v2 |
2021-06-07 | Influence of microstructural and crystallographic inhomogeneity on tensile anisotropy in thick-section Al-Li-Cu-Mg plates | Thick-section plates made from a recently developed Al-Cu-Mg-Li alloy have
been evaluated to understand the influence of microstructure on the anisotropy
of tensile strengths after natural and artificial ageing treatment.
Pancake-shaped grains with a coarse substructure and strong crystallographic
texture with a beta-f... | 2106.03644v1 |
2021-06-09 | Cellular Automata Simulation of Grain Growth of Powder Metallurgy Nickel-Based Superalloy | Primary {\gamma}' phase instead of carbides and borides plays an important
role in suppressing grain growth during solution at 1433K of FGH98 nickel-based
polycrystalline alloys. Results illustrate that as-fabricated FGH98 has
equiaxed grain structure and after heat treatment, grains remain equiaxed but
grow larger. In... | 2106.04888v1 |
2021-06-10 | Statistical behaviour of interfaces subjected to curvature flow and torque effects applied to microstructural evolutions | The movement of grain boundaries in pure metals and alloys with a low
concentration of dislocations has been historically proved to follow curvature
flow behavior. This mechanism is typically known as grain growth (GG). However,
recent 3D in-situ experimental results tend to question this global picture
concerning the ... | 2106.05605v3 |
2021-06-10 | Concurrent goal-oriented materials-by-design | The development of new materials and structures for extreme conditions
including impact remains a continuing challenge despite steady advances. Design
is currently accomplished using a sequential approach: an optimal material is
first developed using the process-structure-properties paradigm, where
performance is measu... | 2106.06074v1 |
2021-06-15 | Using the photo-induced $L_3$ resonance shift in Fe and Ni as time reference for ultrafast experiments at low flux soft X-ray sources | We study the optical-pump induced ultrafast transient change of the X-ray
absorption at the $L_3$ absorption resonances of the transition metals Ni and
Fe in Fe$_{0.5}$Ni$_{0.5}$ alloy. We find the effect for both elements to occur
simultaneously on a femtosecond timescale. This effect may hence be used as a
handy cros... | 2106.07926v1 |
2021-06-18 | Fluorine solubility and superconducting properties of Sm(O,F)BiS$_2$ single crystals | Sm(O,F)BiS2 superconducting single crystals with various nominal F contents
have been grown using KI-KCl flux. The solid solution limit of F at the O-site
in Sm(O,F)BiS2 single crystals was approximately less than 20 at%. F
concentrations of Sm(O,F)BiS2 single crystals were hardly controlled by nominal
F contents. It s... | 2106.09863v1 |
2021-08-03 | Strain-relaxed GeSn-on-Insulator (GeSnOI) microdisks | GeSn alloys offer a promising route towards a CMOS compatible light source
and the realization of electronic-photonic integrated circuits. One tactic to
improve the lasing performance of GeSn lasers is to use a high Sn content,
which improves the directness. Another popular approach is to use a low to
moderate Sn conte... | 2108.01334v1 |
2021-08-07 | Planar defect in approximant: the case of Cu-Al-Sc alloy | The {110} planar defect formed in the Cu-Al-Sc 1/1 approximant has been
studied by means of electron microscopy and 6-dimensional analysis. As the
displacement vector of the planar defect, 1/2 <{\tau}, 1/{\tau}, 0> has been
proposed. Here {\tau} denotes the golden ratio. This vector corresponds to a
6-dimensional trans... | 2108.03341v2 |
2021-08-09 | Designing order-disorder transformation in high-entropy ferritic steels | Order-disorder transformations hold an essential place in chemically complex
high-entropy ferritic-steels (HEFSs) due to their critical technological
application. The chemical inhomogeneity arising from mixing of multi-principal
elements of varying chemistry can drive property altering changes at the atomic
scale, in p... | 2108.04110v1 |
2021-08-12 | Revisiting the Reduction of Thermal Conductivity in Nano- to Micro-Grained Bismuth Telluride: The Importance of Grain-Boundary Thermal Resistance | Nanograined bulk alloys based on bismuth telluride (Bi2Te3) are the dominant
materials for room-temperature thermoelectric applications. In numerous
studies, existing bulk phonon mean free path (MFP) spectra predicted by
atomistic simulations suggest sub-100 nm grain sizes are necessary to reduce
the lattice thermal co... | 2108.05972v1 |
2021-08-25 | Mapping out the emergence of topological features in the highly alloyed topological Kondo insulators Sm$_{1-x}M_x$B$_6$ ($M$=Eu, Ce) | SmB6 is a strongly correlated material that has been attributed as a
topological insulator and a Kondo insulator. Recent studies have found the
topological surface states and low temperature insulating character to be
profoundly robust against magnetic and non-magnetic impurities. Here, we use
angle resolved photoemiss... | 2108.11453v1 |
2021-08-26 | The role of beam homogeneity in mechanical coupling evaluation of laser ablation-generated impulse | The material emitted from the target surface during laser ablation generates
a net thrust (propulsion) in the opposite direction. The energetic efficiency
of this laser-driven propulsion is given by the mechanical coupling coefficient
(Cm). In this work we considered nanosecond UV laser ablation of the aluminum
6061 al... | 2108.11665v1 |
2021-08-26 | Pseudoelasticity of SrNi$_2$P$_2$ micropillar via Double Lattice Collapse and Expansion | The maximum recoverable strain of most crystalline solids is less than 1%
because plastic deformation or fracture usually occurs at a small strain. In
this work, we show that a SrNi$_2$P$_2$ micropillar exhibits pseudoelasticity
with a large maximum recoverable strain of ~14% under uniaxial compression via
unique rever... | 2108.11999v1 |
2021-08-30 | On the signatures of non-topological patches on the surface of topological insulators | The non-trivial topology in the layered $\text{FeTe}_{0.55}\text{Se}_{0.45}$
(FTS) superconductor has been suggested by both theory and experiment to be
strongly dependent on the Te concentration. Motivated by this together with the
Te fluctuations expected from alloy disorder, we develop a simple layered model
for a s... | 2108.13385v1 |
2021-09-09 | Unraveling the magnetic softness in Fe-Ni-B based nanocrystalline material by magnetic small-angle neutron scattering | We employ magnetic small-angle neutron scattering to investigate the magnetic
interactions in $(Fe_{0.7}Ni_{0.3})_{86}B_{14}$ alloy, a HiB-NANOPERM-type soft
magnetic nanocrystalline material, which exhibits an ultrafine microstructure
with an average grain size below 10 nm. The neutron data reveal a significant
spin-m... | 2109.04107v2 |
2021-09-22 | Decorrelation of internal quantum efficiency and lasing threshold in AlGaN-based separate confinement heterostructures for UV emission | In this paper, we study the internal quantum efficiency and lasing threshold
of AlGaN/GaN separate confinement heterostructures designed for ultraviolet
laser emission. We discuss the effect of carrier localization and carrier
diffusion on the optical performance. The implementation of graded index
separate confinement... | 2109.10672v1 |
2021-09-23 | Plastic deformation of the CaMg$_{2}$ C14-Laves phase from 50-250$^\circ$C | Intermetallic phases can significantly improve the creep resistance of
magnesium alloys, extending their use to higher temperatures. However, little
is known about the deformation behaviour of these phases at application
temperatures, which are commonly below their macroscopic
brittle-to-ductile-transition temperature.... | 2109.11367v1 |
2021-09-29 | Density dependent local structures in InTe phase-change materials | Chalcogenide phase-change materials (PCMs) based random access memory (PCRAM)
is one of the leading candidates for the development of non-volatile memory and
neuro-inspired computing technologies. Recent work shows Indium to be an
important alloying element for PCRAM, while a thorough understanding of the
parent compou... | 2109.14253v1 |
2021-09-30 | Hypothetical FrAu: An outlier in the B2 compounds | The ordered alloys of alkali metals (Rb and Cs) and gold (Au) have the B2
(CsCl-type) structure and show a semiconducting property, irrespective to the
metallic constituents. Francium (Fr) is classed as an alkali metal and is
expected to form the B2 structure with Au. However, it is difficult to
synthesize such a compo... | 2109.14836v1 |
2021-10-02 | Simulation of corrosion and mechanical degradation of additively manufactured Mg scaffolds in simulated body fluid | A simulation strategy based in the finite element model was developed to
model the corrosion and mechanical properties of biodegradable Mg scaffolds
manufactured by laser power bed fusion after immersion in simulated body fluid.
Corrosion was simulated through a phenomenological, diffusion-based model which
can take in... | 2110.00770v1 |
2021-10-05 | Three-wall piston-cylinder type pressure cell for muon-spin rotation/relaxation experiments | A three-wall piston-cylinder type high pressure cell for muon-spin
rotation/relaxation experiments was designed, manufactured, tested and
commissioned. The outer cylinder of the cell body is made from MP35N and the
middle and the inner cylinders are made from NiCrAl nonmagnetic alloys. The
mechanical design and perform... | 2110.01870v1 |
2021-10-11 | High-T$_c$ Superconductivity in doped boron-carbon clathrates | We report a high-throughput ab-initio study of the thermodynamic and
superconducting proper- ties of the recently synthesized XB$_3$C$_3$
clathrates. These compounds, in which boron and carbon form a sponge-like
network of interconnected cages each enclosing a central X atom, are attractive
candidates to achieve high-T... | 2110.05333v1 |
2021-10-13 | Vibration-Based Condition Monitoring By Ensemble Deep Learning | Vibration-based techniques are among the most common condition monitoring
approaches. With the advancement of computers, these approaches have also been
improved such that recently, these approaches in conjunction with deep learning
methods attract attention among researchers. This is mostly due to the nature
of the de... | 2110.06601v1 |
2021-10-15 | Quantitative predictions of thermodynamic hysteresis: Temperature-dependent character of the phase transition in Pd-H | The thermodynamics of phase transitions between phases that are
size-mismatched but coherent differs from conventional stress-free
thermodynamics. Most notably, in open systems such phase transitions are always
associated with hysteresis. In spite of experimental evidence for the relevance
of these effects in technolog... | 2110.07883v1 |
2021-10-15 | Magnetically collected platinum/nickel alloy nanoparticles -- insight into low noble metal content catalysts for hydrogen evolution reaction | The hydrogen evolution reaction (HER) is a key process in electrochemical
water splitting. To lower the cost and environmental impact of this process, it
is highly motivated to develop electrocatalysts with low or no content of noble
metals. Here we report on a novel and ingenious synthesis of hybrid PtxNi1-x
electroca... | 2110.08006v1 |
2021-10-15 | Heat capacity of URu$_{2-x}$Os$_x$Si$_2$ at low temperatures | We perform measurements of the heat capacity as a function of temperature in
URu$_{2-x}$Os$_x$Si$_2$ alloys. Our experimental results show that the critical
temperature of the second-order phase transition increases while the value of
the Sommerfeld coefficient in the ordered state decreases with an increase in
osmium ... | 2110.08098v1 |
2021-10-18 | Trajectory Optimization for Thermally-Actuated Soft Planar Robot Limbs | Practical use of robotic manipulators made from soft materials requires
generating and executing complex motions. We present the first approach for
generating trajectories of a thermally-actuated soft robotic manipulator. Based
on simplified approximations of the soft arm and its antagonistic shape-memory
alloy actuato... | 2110.09474v2 |
2021-10-21 | Soft Lattice Modules that Behave Independently and Collectively | Natural systems integrate the work of many sub-units (cells) toward a
large-scale unified goal (morphological and behavioral), which can counteract
the effects of unexpected experiences, damage, or simply changes in tasks
demands. In this paper, we exploit the opportunities presented by soft,
modular, and tensegrity ro... | 2110.11485v3 |
2021-10-22 | Analytic prediction of yield stress and strain hardening in a strain gradient plasticity material reinforced by small elastic particles | The influence on macroscopic work hardening of small, spherical, elastic
particles dispersed within a matrix is studied using an isotropic strain
gradient plasticity framework. An analytical solution, based on a recently
developed yield strength model is proposed. The model accounts for random
variations in particle si... | 2110.11877v1 |
2021-10-24 | Pinning of extended dislocations in atomically disordered crystals | In recent years there has been renewed interest in the behavior of
dislocations in crystals that exhibit strong atomic scale disorder, as typical
of compositionally complex single phase alloys. The behavior of dislocations in
such crystals has been often studied in the framework of elastic manifold
pinning in disordere... | 2110.12507v1 |
2021-10-26 | Deep machine learning potentials for multicomponent metallic melts: development, predictability and compositional transferability | The use of machine learning interatomic potentials (MLIPs) in simulations of
materials is a state-of-the-art approach, which allows achieving nearly
\textit{ab initio} accuracy with orders of magnitude less computational cost.
Multicomponent disordered systems have a highly complicated potential energy
surface due to b... | 2110.14006v1 |
2021-10-29 | Double-helix magnetic order in CrAs with Pnma space group | The transition metal pnictide CrAs exhibits superconductivity in the vicinity
of a helimagnetic phase, where it has been found that the propagation vector is
parallel to the c axis and the magnetic moments lie in the ab plane. Here we
use ab initio calculations to study the magnetic interactions in the material.
Mappin... | 2110.15631v1 |
2021-10-29 | Giant and robust topological Hall effect in Chiral Magnet Co7Zn8Mn5 | Recently, \b{eta}-Mn-type Co-Zn-Mn alloys have gained particular attentions
as a new class of chiral magnets hosting skyrmion phase. In this work, a giant
topological Hall effect(THE)is observed during the wide temperature range below
220 K in the chiral magnet Co7Zn8Mn5. The maximum topological Hall resistivity,
-2.1 ... | 2110.15679v1 |
2021-10-29 | On the Energy Scaling Behaviour of Singular Perturbation Models with Prescribed Dirichlet Data Involving Higher Order Laminates | Motivated by complex microstructures in the modelling of shape-memory alloys
and by rigidity and flexibility considerations for the associated differential
inclusions, in this article we study the energy scaling behaviour of a
simplified $m$-well problem without gauge invariances. Considering wells for
which the lamina... | 2110.15929v3 |
2021-10-30 | Nanoscale Raman Characterization of a 2D Semiconductor Lateral Heterostructure Interface | The nature of the interface in lateral heterostructures of 2D monolayer
semiconductors including its composition, size, and heterogeneity critically
impacts the functionalities it engenders on the 2D system for next-generation
optoelectronics. Here, we use tip-enhanced Raman scattering (TERS) to
characterize the interf... | 2111.00135v1 |
2021-11-05 | Atomic-scale modeling of superalloys | Atomistic theory holds the promise for the ab initio development of
superalloys based on the fundamental principles of quantum mechanics. The last
years showed a rapid progress in the field. Results from atomistic modeling
enter larger-scale simulations of alloy performance and often may be compared
directly to experim... | 2111.03572v1 |
2021-11-08 | Understanding glass-like Vogel-Fulcher-Tammann equilibration times: microcanonical effective temperatures in quenched 3D martensites | We do Monte Carlo simulations of four 3D structural transitions, with
vector-spin models of their martensitic strain domains under quenches to $T$,
to test a generic post-quench Partial Equilibration Scenario (PES) of Ritort.
We indeed confirm that energy-lowering passages between fixed-energy shells
induce a signature... | 2111.04290v3 |
2021-11-10 | Observation of Bulk Plasticity in a Polycrystalline Titanium Alloy by Diffraction Contrast Tomography and Topotomography | The mechanical properties of polycrystalline metals are governed by the
interaction of defects that are generated by deformation within the 3D
microstructure. In materials that deform by slip, the plasticity is usually
highly heterogeneous within the microstructure. Many experimental tools can be
used to observe the re... | 2111.05611v1 |
2021-11-11 | Quantifying Free-volume Topology in Atomistic Structures Through a Combination of Voxelization and Graph Theory | We introduce a new computational methodology for the identification and
characterization of free volume within/around atomistic configurations. This
scheme employs a three-stage workflow, by which spheres are iteratively grown
inside of voxels, and ultimately converted to planar graphs, which are then
characterized via... | 2111.06018v2 |
2021-11-15 | Numerical Study of the Wetting Dynamics of Droplet on Laser Textured Surfaces: Beyond Classical Wenzel and Cassie-Baxter Model | The classical wetting models, such as the Wenzel and Cassie-Baxter have been
extensively used to quantify the wettability of laser-textured surfaces.
However, these models do not provide any description of the corresponding
droplet dynamics. In this work, we propose a detailed continuum-level modelling
to study the wet... | 2111.08499v4 |
2021-11-18 | The elastic inclusion problem in the (amplitude) phase field crystal model | In many processes for crystalline materials such as precipitation,
heteroepitaxy, alloying, and phase transformation, lattice expansion or
compression of embedded domains occurs. This can significantly alter the
mechanical response of the material. Typically, these phenomena are studied
macroscopically, thus neglecting... | 2111.09607v2 |
2021-11-23 | Effect of interfacial intermixing on spin-orbit torque in Co/Pt bilayers | Using the first-principles non-equilibrium Green's function technique with
supercell disorder averaging, we study the influence of interfacial intermixing
on the spin-orbit torque in Co$\mid$Pt bilayers. Intermixing is modeled by
inserting one or more monolayers of a disordered CoPt alloy between Co and Pt.
Dampinglike... | 2111.12178v2 |
2021-11-24 | Growth and structural transitions of core-shell nanorods in nanocrystalline Al-Ni-Y | Unique nanorod precipitates with a core-shell structure are found to nucleate
from the grain boundaries of a bulk nanocrystalline Al-Ni-Y alloy fabricated
via powder consolidation, contributing significantly to stabilization and
strengthening. The local structure, chemistry, and evolution of these features
during annea... | 2111.12507v3 |
2021-12-03 | Convergence of substructuring Methods for the Cahn-Hilliard Equation | In this paper, we formulate and study substructuring type algorithm for the
Cahn-Hilliard (CH) equation, which was originally proposed to describe the
phase separation phenomenon for binary melted alloy below the critical
temperature and since then it has appeared in many fields ranging from tumour
growth simulation, i... | 2112.01699v1 |
2021-12-09 | Exchange-bias dependent diffusion rate of hydrogen discovered from evolution of hydrogen-induced noncollinear magnetic anisotropy in FePd thin films | Hydrogenation-induced noncollinear magnetic anisotropy is observed from the
evolution of the magnetic domains in FePd alloy thin films using magneto-optic
Kerr effect (MOKE) microscopy. MOKE images reveal complicated competitions
between different magnetic anisotropies during hydrogen diffusion into the
film. An intrig... | 2112.05079v1 |
2021-12-15 | A New Type of Compositionally Complex M5Si3 Silicides: Cation Ordering and Unexpected Phase Stability | A new type of compositionally complex (medium- or high-entropy) M5Si3
silicides is synthesized. Both (V1/5Cr1/5Nb1/5Ta1/5W1/5)5Si3 and
(Ti1/5Zr1/5Nb1/5Mo1/5Hf1/5)5Si3 form single-phase homogenous solid solutions.
Notably, (V1/5Cr1/5Nb1/5Ta1/5W1/5)5Si3 forms the hexagonal gamma (D88) phase,
while all its five constituen... | 2112.07977v1 |
2021-12-18 | DFT based investigation of the structural, magnetic, electronic, and half-metallic properties of solid In$_{1-x}$Ti$_{x}$Sb solutions | With the intention to reveal the effect of the substitution, Ti-doped InSb
alloy, we accomplished a first-principles prediction within the FPLAPW+lo
method. We used GGA-PBEsol scheme attached with the improved TB-mBJ approach to
predict structural, electronic, and magnetic properties of In$_{1-x}$Ti$_{x}$Sb
with concen... | 2112.09946v1 |
2021-12-21 | Record high $T_{\rm c}$ and robust superconductivity in transition metal $δ$-Ti phase at megabar pressure | We report a record high superconducting transition temperature ($T_{\rm c}$)
up to 23.6 K under high pressure in the elemental metal Ti, one of the top ten
most abundant elements in Earth's crust. The $T_{\rm c}$ increases
monotonically from 2.3 K at 40.3 GPa to 23.6 K at 144.9 GPa, which surpasses
all known records fr... | 2112.11047v1 |
2021-12-22 | Dirac fermions in half-metallic ferromagnetic mixed Cr$_{1\textrm{-}x}$M$_x$PSe$_3$ monolayers | The electronic and magnetic properties of pristine CrPSe$_3$ and mixed
Cr$_{1\textrm{-}x}$M$_x$PSe$_3$ (M = Zn, Cd, Hg) monolayers were studied using
density functional theory including an on-site Coulomb term (DFT$+U$) and
tight-binding approach (TBA). While pristine CrPSe$_3$ monolayer has an
antiferromagnetic (AFM) ... | 2112.11840v1 |
2021-12-22 | Intercalation of Mn in graphene/Cu(111) interface: insights to the electronic and magnetic properties from theory | The effect of Mn intercalation on the atomic, electronic and magnetic
structure of the graphene/Cu(111) interface is studied using state-of-the-art
density functional theory calculations. Different structural models of the
graphene-Mn-Cu(111) interface are investigated. While a Mn monolayer placed
between graphene and ... | 2112.11845v1 |
2021-12-29 | Photochemical Synthesis of P-S-H Ternary Hydride at High Pressures | The recent discovery of room temperature superconductivity (283 K) in
carbonaceous sulfur hydride (C-S-H) has attracted lots of interests in ternary
hydrogen rich materials. In this report, ternary hydride P-S-H has been
synthesized through photochemical reaction from elemental sulfur (S),
phosphorus (P) and molecular ... | 2112.14348v1 |
2022-01-04 | Interatomic potential theory on the phase transition of charge density wave in transition metal dichalcogenides | Patterns and periods of charge density waves (CDW) in transition metal
dichalcogenides exhibit complex phase diagrams that depend on pressure,
temperature, metal intercalation, or chalcogen alloying. The phase diagrams
have been understood in the context of phenomenological Landau free energy
model, but the microscopic... | 2201.01129v1 |
2022-01-05 | A special cross-tie domain wall in helimagnet | A special cross-tie (SCT) domain wall was discovered in the helimagnet MnCoSi
alloy via the magnetic vector field tomography in Lorentz transmission electron
microscopy (LTEM). Different to the traditional cross-tie (TCT) domain wall
where the convergent/divergent magnetic moment configuration line up one by
one, the r... | 2201.01406v1 |
2022-01-05 | The role of \b{eta} pockets resulting from Fe impurities in hydride formation in titanium | The corrosion potential of commercially pure titanium in NaCl solutions is
dramatically affected by trace Fe additions, which cause the appearance of
submicron pockets of \b{eta} phase at grain boundary triple points.
Furthermore, the low solubility of hydrogen in hexagonal close-packed
{\alpha}-Ti makes titanium alloy... | 2201.01569v1 |
2022-01-08 | Atomistic insights into the inhomogeneous nature of solute segregation to grain boundaries in magnesium | In magnesium alloys with multiple substitutional elements, solute segregation
at grain boundaries (GBs) has a strong impact on many important material
characteristics, such as GB energy and mobility, and therefore, texture.
Although it is well established that GB segregation is inhomogeneous, the
variation of GB solute... | 2201.02884v3 |
2022-01-09 | Origin of ferroelectricity in magnesium doped zinc oxide | Recent experiments demonstrated robust ferroelectricity in Mg-doped ZnO (ZMO)
of the wurtzite structure, hinting at a promising strategy to substantially
expand the list of ferroelectrics by doping conventional piezoelectrics. We
investigate the origin of ferroelectricity in ZMO with first-principles density
functional... | 2201.02938v2 |
2022-01-10 | Icosahedral quasicrystal enhanced nucleation in commercially pure Ni processed by selective laser melting | This work provides unambiguous evidence for the occurrence of icosahedral
quasicrystal (iQC) enhanced nucleation during selective laser melting of gas
atomized commercially-pure Ni powders. This solidification mechanism, which has
only been recently reported in a few alloys and has to date never been observed
in pure m... | 2201.04963v1 |
2022-01-15 | Machine Learning to Predict the L-Point Direct Bandgap of Bi1-xSbx Nanomaterials | With the development of modern nanoscience and nanotechnology, Bi1-xSbx can
be synthesized into different nanoscale and nanostructured forms, including
thin films, nanowires, nanotubes, nanoribbons, and many others. However, due to
the strong correlation between electrons and holes at the L-point in the
Brillouin zone,... | 2201.05849v1 |
2022-01-21 | Transient behaviour of electrovortex flow in a cylindrical container | This study is a continuation of the combined experimental and numerical
investigation [1] of the flow of the eutectic GaInSn alloy inside a cylindrical
vessel exposed to a constant electrical current. The emerging electrovortex
flow driven by the interaction of the current, which is applied through a
tapered electrode,... | 2201.08591v1 |
2022-01-21 | On the origin of noncollinear magnetization coupling across RuX layers | We present a simple atomistic model for the description of noncollinear
coupling in magnetic multilayers with hybrid spacer layers made of Ru alloyed
to ferromagnetic atoms such as Fe. In contrast to previous analytical and
micromagnetic models that explain the noncollinear coupling by means of lateral
fluctuations in ... | 2201.08624v1 |
2022-01-14 | Cell voltage model for Li-Bi liquid metal batteries | Lithium-bismuth bimetallic cells are amongst the best explored liquid metal
batteries. A simple and fast quasi-one-dimensional cell voltage model for such
devices is presented. The equilibrium cell potential is obtained from a complex
two-dimensional fit of data drawn from multiple studies of equilibrium cell
potential... | 2201.09661v1 |
2022-01-21 | Machine Learning Algorithms for Prediction of Penetration Depth and Geometrical Analysis of Weld in Friction Stir Spot Welding Process | Nowadays, manufacturing sectors harness the power of machine learning and
data science algorithms to make predictions for the optimization of mechanical
and microstructure properties of fabricated mechanical components. The
application of these algorithms reduces the experimental cost beside leads to
reduce the time of... | 2201.09725v1 |
2022-01-27 | Ab-initio study of the electronic structure and magnetic properties of Ce$_2$Fe$_{17}$ | The Ce$_2$Fe$_{17}$ intermetallic compound has been studied intensely for
several decades; its low-temperature state is reported experimentally either as
ferromagnetic or antiferromagnetic by different authors, with a measured
ordering temperature ranging within a hundred Kelvin. The existing theoretical
investigations... | 2201.11573v1 |
2022-01-29 | Energy dispersive X-ray spectroscopy of atomically thin semiconductors | We report the implementation of energy dispersive X-ray spectroscopy for
layered semiconductors in the form of atomically thin transition metal
dichalcogenides. The technique is based on a scanning electron microscope
equipped with a silicon drift detector for energy dispersive X-ray analysis. By
optimizing operational... | 2201.12545v2 |
2022-04-04 | Towards high all-optical data writing rates in synthetic ferrimagnets | Although all-optical magnetization switching with fs laser pulses has
garnered much technological interest, the ultimate data rates achievable have
scarcely been investigated. Recently it has been shown that after a switching
event in a GdCo alloy, a second laser pulse arriving 7 ps later can
consistently switch the ma... | 2204.01459v1 |
2022-04-07 | Martensitic transformation in V_3Si single crystal: ^51V NMR evidence for coexistence of cubic and tetragonal phases | The Martensitic transformation (MT) in A15 binary-alloy superconductor V_3Si,
though studied extensively, has not yet been conclusively linked with a
transition to superconductivity. Previous NMR studies have mainly been on
powder samples and with little emphasis on temperature dependence during the
transformation. Her... | 2204.03729v2 |
2022-04-09 | Crossover in dynamics in the Kob-Andersen binary mixture glass-forming liquid | Glass-forming liquids are broadly classified as being fragile or strong,
depending on the deviation from Arrhenius behavior of their relaxation times. A
fragile to strong crossover is observed or inferred in liquids like water and
silica, and more recently also in metallic glasses and phase change alloys,
leading to th... | 2204.04411v1 |
2022-04-01 | Development of an automated millifluidic platform and data-analysis pipeline for rapid electrochemical corrosion measurements: a pH study on Zn-Ni | We describe the development of a millifluidic based scanning droplet cell
platform for rapid and automated corrosion. This system allows for measurement
of corrosion properties (e.g., open circuit potential, corrosion current
through Tafel and linear polarization resistance measurements, and cyclic
voltammograms) on a ... | 2204.06094v1 |
2022-04-22 | The role of the thermodynamic factor on the intrinsic and tracer diffusivities in binary mixtures | One of the Darken equations gives a relationship between the intrinsic and
the tracer diffusion coefficients, $D_A$ and $D_A^*$, of species $A$ in a solid
binary mixture. In its original version, the equation reads $D_A = D_A^*
\Gamma$, with $\Gamma$ the thermodynamic factor. The question addressed in this
paper is how... | 2204.10726v2 |
2022-04-23 | LAB: A Leader-Advocate-Believer Based Optimization Algorithm | This manuscript introduces a new socio-inspired metaheuristic technique
referred to as Leader-Advocate-Believer based optimization algorithm (LAB) for
engineering and global optimization problems. The proposed algorithm is
inspired by the AI-based competitive behaviour exhibited by the individuals in
a group while simu... | 2204.11049v1 |
2022-04-26 | Chirality-Induced Noncollinear Magnetization and Asymmetric Domain-Wall Propagation in Hydrogenated CoPd Thin Films | Array-patterned CoPd-based heterostructures are created through e-beam
lithography and plasma pretreatment that induces oxidation with depth gradient
in the CoPd alloy films, breaking the central symmetry of the structure.
Effects on the magnetic properties of the follow-up hydrogenation of the thin
film are observed v... | 2204.12428v1 |
2022-05-10 | Synthesis of Heavy Fermion CeCoIn5 Thin Film via Pulsed Laser Deposition | CeCoIn5 (Co115) thin films have been grown on Al2O3 (000l) substrates through
the pulsed laser deposition (PLD). The films are grown mainly along the c-axis,
with CeIn3 and In-related alloys. The rock-salt type grains are nucleated,
where Co115 grains mixed with excess indium are evenly distributed over the
substrate. ... | 2205.04991v1 |
2022-05-11 | Diversity of states in a chiral magnet nanocylinder | The diversity of three-dimensional magnetic states in a FeGe nanocylinder is
studied using micromagnetic simulations and off-axis electron holography in the
transmission electron microscope. In particular, we report the observation of a
dipole string -- a spin texture composed of two coupled Bloch points -- which
becom... | 2205.05753v1 |
2022-05-13 | Body Diagonal Diffusion Couple Method for Estimation of Tracer Diffusion Coefficients in a Multi-Principal Element Alloy | The estimation of (n-1)2 interdiffusion coefficients in an n component system
requires (n-1) diffusion paths to intersect or pass closely in the (n-1)
dimensional space according to the body diagonal diffusion couple method. These
interdiffusion coefficients are related to n(n-1) intrinsic (or n tracer
diffusion coeffi... | 2205.06550v1 |
2022-05-14 | Five-fold Symmetry in Au-Si Metallic Glass | The first metallic glass of Au-Si alloy has been discovered for over half a
century, but its atomic structure is still puzzling. Herein, Au 8 Si
dodecahedrons with local five-fold symmetry are revealed as building blocks in
Au-Si metallic glass, and the interconnection modes of Au 8 Si dodecahedrons
determine the mediu... | 2205.07032v1 |
2022-05-17 | A Deep-learning Model for Fast Prediction of Vacancy Formation in Diverse Materials | The presence of point defects such as vacancies plays an important role in
material design. Here, we demonstrate that a graph neural network (GNN) model
trained only on perfect materials can also be used to predict vacancy formation
energies ($E_{vac}$) of defect structures without the need for additional
training data... | 2205.08366v1 |
2022-05-19 | Broadband-tunable spectral response of perovskite-on-paper photodetectors using halide mixing | Paper offers a low-cost and widely available substrate for electronics. It
posses alternative characteristics to silicon, as it shows low density and
high-flexibility, together with biodegradability. Solution processable
materials, such as hybrid perovskites, also present light and flexible
features, together with a hu... | 2205.11256v1 |
2022-05-27 | Topological nature of the transition between the gap and the gapless superconducting states | Recently it was demonstrated that the long-known transition between the gap
and gapless superconducting states in the Abrikosov-Gor'kov theory of
superconducting alloy with paramagnetic impurities is of the Lifshitz's type,
i.e. at zero temperature this is the $2\frac12$ order phase transition. Since
transitions of thi... | 2205.13951v1 |
2022-05-30 | Melting properties of Ag$_x$Pt$_{1-x}$ nanoparticles | At the nanoscale, materials exhibit unique properties that differ greatly
from those of the bulk state. In the case of Ag$_x$Pt$_{1-x}$ nanoalloys, we
aimed to study the solid-liquid transition of nanoparticles of different sizes
and compositions. This system is particularly interesting since Pt has a high
melting poin... | 2205.15103v1 |
2022-06-10 | On Scaling Laws for Multi-Well Nucleation Problems without Gauge Invariances | In this article we study scaling laws for simplified multi-well nucleation
problems without gauge invariances which are motivated by models for
shape-memory alloys. Seeking to explore the role of the order of lamination on
the energy scaling for nucleation processes, we provide scaling laws for
various model problems i... | 2206.05164v1 |
2022-06-16 | Surface-directed and bulk spinodal decomposition compete to decide the morphology of bimetallic nanoparticles | An embedded-domain phase-field formalism is used for studying phase
transformation pathways in bimetallic nanoparticles (BNPs). Competition of bulk
and surface-directed spinodal decomposition processes and their interplay with
capillarity are identified as the main determinants of BNP morphology. The
former is characte... | 2206.08274v4 |
2022-06-17 | Large non-reciprocal charge transport in Pt2MnGe up to room temperature | Non-reciprocal charge transport that is strongly associated with the
structural or magnetic chirality of the quantum materials system is one of the
most exotic properties of condensed matter physics. Here, using magnetic alloys
film Pt2MnGe, we have realized the large non-reciprocal charge transport up to
room temperat... | 2206.08498v1 |
2022-06-29 | Disorder-induced topological phase transition in HgCdTe crystals | Using the self-consistent Born approximation, we study a topological phase
transition appearing in bulk HgCdTe crystals induced \emph{uncorrelated}
disorder due to both randomly distributed impurities and fluctuations in Cd
composition. By following the density-of-states evolution, we clearly
demonstrate the topologica... | 2206.14561v2 |
2022-06-29 | Designing shape-memory-like microstructures in intercalation materials | During the reversible insertion of ions, lattices in intercalation materials
undergo structural transformations. These lattice transformations generate
misfit strains and volume changes that, in turn, contribute to the structural
decay of intercalation materials and limit their reversible cycling. In this
paper, we dra... | 2206.14948v1 |
2022-07-11 | Frequency-Angle Two-Dimensional Reflection Coefficient Modeling Based on Terahertz Channel Measurement | Terahertz (THz) channel propagation characteristics are vital for the design,
evaluation, and optimization for THz communication systems. Moreover,
reflection plays a significant role in channel propagation. In this letter, the
reflection coefficient of the THz channel is researched based on extensive
measurement campa... | 2207.04596v1 |
2022-07-22 | Unconventional superconductivity after the BCS paradigm and empirical rules for the exploration of high temperature superconductors | Superconducting state is achieved through quantum condensation of Cooper
pairs which are new types of charge carriers other than single electrons in
normal metals. The theory established by Bardeen-Cooper-Schrieffer (BCS) in
1957 can successfully explain the phenomenon of superconductivity in many
single-element and al... | 2207.10847v1 |
2022-07-27 | MagGlove: A Haptic Glove with Movable Magnetic Force for Manipulation Learning | Recently, haptic gloves have been extensively explored for various practical
applications, such as manipulation learning. Previous glove devices have
different force-driven systems, such as shape memory alloys, servo motors and
pneumatic actuators; however, these proposed devices may have difficulty in
fast finger move... | 2207.13370v1 |
2022-07-28 | Mechanical Characterization of Superelastic NiTi Nanofoams by Molecular Dynamics Simulations | Nanoporous metals or nanofoams are a promising material class that is
considered for sensing, actuation, and catalysis. To date, they mostly based on
simple noble metals such as nanoporous gold, which exhibit peculiar
stress-strain response different from the bulk material. At the same time bulk
alloys such as NiTi fea... | 2207.13927v1 |
2022-07-31 | Unveiling the outer core composition with neutrino oscillation tomography | In the last 70 years, geophysics has established that the Earth's outer core
is an FeNi alloy containing a few percent of light elements, whose nature and
amount remain controversial today. Besides the classical combinations of
silicon and oxygen, hydrogen has been advocated as the only light element that
could account... | 2208.00532v1 |
2022-08-01 | Atomistic characterization of the SiO2 high-density liquid/low-density liquid interface | The equilibrium silica liquid-liquid interface between the high-density
liquid (HDL) phase and the low-density liquid (LDL) phase is examined using
molecular-dynamics simulation. The structure, thermodynamics, and dynamics
within the interfacial region are characterized in detail and compared with
previous studies on t... | 2208.00566v1 |
2022-08-01 | Efficient atomistic simulations of radiation damage in W and W-Mo using machine-learning potentials | The Gaussian approximation potential (GAP) is an accurate machine-learning
interatomic potential that was recently extended to include the description of
radiation effects. In this study, we seek to validate a faster version of GAP,
known as tabulated GAP (tabGAP), by modelling primary radiation damage in 50-50
W-Mo al... | 2208.00804v2 |
2022-08-02 | Safe Supervisory Control of Soft Robot Actuators | Although soft robots show safer interactions with their environment than
traditional robots, soft mechanisms and actuators still have significant
potential for damage or degradation particularly during unmodeled contact. This
article introduces a feedback strategy for safe soft actuator operation during
control of a so... | 2208.01547v1 |
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