publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2023-04-05 | A dynamic Bayesian optimized active recommender system for curiosity-driven Human-in-the-loop automated experiments | Optimization of experimental materials synthesis and characterization through
active learning methods has been growing over the last decade, with examples
ranging from measurements of diffraction on combinatorial alloys at
synchrotrons, to searches through chemical space with automated synthesis
robots for perovskites.... | 2304.02484v1 |
2023-04-06 | Dislocation density transients and saturation in irradiated zirconium | Zirconium alloys are widely used as the fuel cladding material in pressurised
water reactors, accumulating a significant population of defects and
dislocations from exposure to neutrons. We present and interpret synchrotron
microbeam X-ray diffraction measurements of proton-irradiated Zircaloy-4, where
we identify a tr... | 2304.03084v1 |
2023-04-11 | Effects of equivalent composition on superconducting properties of high-entropy REOBiS$_2$ (RE = La, Ce, Pr, Nd, Sm, Gd) single crystals | Superconductors are influenced by high-entropy alloys (HEAs); these have been
investigated in various functional materials. REOBiS$_2$ (RE = La, Ce, Pr, Nd,
Sm, and Gd in different combinations) single crystals with HEAs at the RE-site
were successfully grown using the flux method. The obtained crystals were
plate-shap... | 2304.04993v1 |
2023-04-14 | Recent progress in thermoelectric MXene-based structures versus other 2D materials | Thermoelectricity is a next-generation solution for efficient waste heat
management. Although various thermoelectric materials exist, there is still a
lot of scope for advancement, especially in room temperature applications.
Recently, two-dimensional (2D) materials, including MXenes, showed promise as
thermoelectric m... | 2304.07015v2 |
2023-04-16 | Earth shaped by primordial H$_2$ atmospheres | Earth's water, intrinsic oxidation state, and metal core density are
fundamental chemical features of our planet. Studies of exoplanets provide a
useful context for elucidating the source of these chemical traits. Planet
formation and evolution models demonstrate that rocky exoplanets commonly
formed with hydrogen-rich... | 2304.07845v1 |
2023-04-17 | Mechanical behavior of ion-irradiated ODS RAF steels strengthened with different types of refractory oxides | In the present work, authors focused on verifying structural and mechanical
properties of Oxide Dispersed Strengthening (ODS) steels strengthened by three
different types of refractory oxides submitted to ion-irradiation. Three
materials strengthened with Y2O3 or Al2O3 or ZrO2 were produced by mechanical
alloying and S... | 2304.08266v1 |
2023-04-19 | Evidence for current suppression in superconductor-superconductor bilayers | Superconducting radio frequency (SRF) cavities, which are critical components
in many particle accelerators, need to be operated in the Meissner state to
avoid strong dissipation from magnetic vortices. For a defect-free
superconductor, the maximum attainable magnetic field for operation is set by
the superheating fiel... | 2304.09360v2 |
2023-04-26 | Exploring the origins of perpendicular magnetic anisotropy in amorphous Tb-Co via changes in medium-range ordering | Amorphous thin films of Tb$_{17}$Co$_{83}$ (a-Tb-Co) grown by magnetron
co-sputtering exhibit changes in magnetic anisotropy with varying growth and
annealing temperatures. The magnetic anisotropy constant increases with
increasing growth temperature, which is reduced or vanishes upon annealing at
temperatures above th... | 2304.13208v3 |
2023-04-29 | Impact of MBE-grown (In,Ga)As/GaAs metamorphic buffers on excitonic and optical properties of single quantum dots with single-photon emission tuned to the telecom range | Tuning GaAs-based quantum emitters to telecom wavelengths makes it possible
to use the existing mature technology for applications in, e.g., long-haul
ultra-secure communication in the fiber networks. A promising method
re-developed recently is to use a metamorphic InGaAs buffer that redshifts the
emission by reducing ... | 2305.00289v2 |
2023-05-03 | Crystal Structure and Phonon Density of States of FeSi up to 120 GPa | The strongly correlated material FeSi exhibits several unusual thermal,
magnetic, and structural properties under varying pressure-temperature (P-T)
conditions. It is a potential thermoelectric alloy and a materials of several
geological implications as a possible constituent at the Earth's core mantle
boundary (CMB). ... | 2305.02248v2 |
2023-05-08 | AutoEIS: automated Bayesian model selection and analysis for electrochemical impedance spectroscopy | Electrochemical Impedance Spectroscopy (EIS) is a powerful tool for
electrochemical analysis; however, its data can be challenging to interpret.
Here, we introduce a new open-source tool named AutoEIS that assists EIS
analysis by automatically proposing statistically plausible equivalent circuit
models (ECMs). AutoEIS ... | 2305.04841v2 |
2023-05-11 | Designing Mixed-Metal Electrocatalyst Systems for Photoelectrochemical Dinitrogen Activation | Efficient artificial photosynthesis systems are currently realized as
catalyst- and surfacefunctionalized photovoltaic tandem- and triple-junction
devices, enabling photoelectrochemical (PEC) water oxidation while
simultaneously recycling CO2 and generating hydrogen as a solar fuel for
storable renewable energy. Althou... | 2305.06877v1 |
2023-05-11 | Kwinking as the plastic forming mechanism of B19' NiTi martensite | Irreversible plastic forming of B19$^\prime$ martensite of the NiTi shape
memory alloy is discussed within the framework of continuum mechanics. It is
suggested that the main mechanism arises from coupling between martensite
reorientation and coordinated $[100](001)_{\rm M}$ dislocation slip. A
heuristic model is propo... | 2305.07125v3 |
2023-05-12 | Striation lines in intermittent fatigue crack growth in an Al alloy | Fatigue failure of crystalline materials is a difficult problem in science
and engineering, and recent results have shown that fatigue crack growth can
occur in intermittent jumps which have fat-tailed distributions. As fatigue
crack propagation is known to leave markings -- called striations -- on the
fracture surface... | 2305.07460v1 |
2023-05-12 | High Density Fabrication Process for Single Flux Quantum Circuits | We implemented, optimized and fully tested over multiple runs a
superconducting Josephson junction fabrication process tailored for the
integrated digital circuits that are used for control and readout of
superconducting qubits operating at millikelvin temperatures. This process was
optimized for highly energy efficien... | 2305.07607v2 |
2023-05-17 | Emergence of superconductivity in single-crystalline LaFeAsO under simultaneous Sm and P substitution | We report on the high-pressure growth, structural characterization, and
investigation of the electronic properties of single-crystalline LaFeAsO
co-substituted by Sm and P, in both its normal- and superconducting states.
Here, the appearance of superconductivity is attributed to the inner chemical
pressure induced by t... | 2305.10034v1 |
2023-05-21 | Magnetic phase diagram of Ge1-x-ySnxMnyTe multiferroic semiconductors; coexistence of ferromagnetic and cluster glass ordering | We report the structural and magnetic results of polar {\alpha}-GeTe doped
with Sn and Mn from x = 0.185 to 0.841 and y = 0.02 to 0.086, respectively. The
magnetic results of Ge1-x-y(SnxMny)Te (GSMT) crystals identify Mn-clustering
effect with scaling parameter, R = 0.033 for x ~ 0.2 and y = 0.06. The
excessive Sn ions... | 2305.12499v1 |
2023-05-21 | CNN-based Dendrite Core Detection from Microscopic Images of Directionally Solidified Ni-base Alloys | Dendrite core is the center point of the dendrite. The information of
dendrite core is very helpful for material scientists to analyze the properties
of materials. Therefore, detecting the dendrite core is a very important task
in the material science field. Meanwhile, because of some special properties of
the dendrite... | 2305.12506v1 |
2023-05-30 | Strain Relaxation in Core-Shell Pt-Co Catalyst Nanoparticles | Surface strain plays a key role in enhancing the activity of Pt-alloy
nanoparticle oxygen reduction catalysts. However, the details of strain effects
in real fuel cell catalysts are not well-understood, in part due to a lack of
strain characterization techniques that are suitable for complex supported
nanoparticle cata... | 2305.18686v1 |
2023-06-01 | Microstructure quality control of steels using deep learning | In quality control, microstructures are investigated rigorously to ensure
structural integrity, exclude the presence of critical volume defects, and
validate the formation of the target microstructure. For quenched,
hierarchically-structured steels, the morphology of the bainitic and
martensitic microstructures are of ... | 2306.00797v1 |
2023-06-06 | Reconstruction, rumpling, and Dirac states at the (001) surface of a topological crystalline insulator Pb1-xSnxSe | Equilibrium atomic configuration and electronic structure of the (001)
surface of IV-VI semiconductors PbTe, PbSe, SnTe and SnSe, is studied using the
density functional theory (DFT) methods. At surfaces of all those compounds,
the displacements of ions from their perfect lattice sites reveal two features
characteristi... | 2306.03582v2 |
2023-06-19 | Unveiling the nucleation and growth of Zr oxide precipitates of internally oxidized Nb3Sn superconductors | We report on atomic-scale analyses of nucleation and growth of Zr oxide
precipitates and the microstructural evolution of internally oxidized Nb3Sn
wires for high-field superconducting magnet applications, utilizing atom probe
tomography (APT), transmission electron microscopy (TEM), and first-principles
calculations. ... | 2306.10866v2 |
2023-06-20 | High frequency oscillations in spin-torque nano oscillator due to bilinear coupling | Exchange coupling in an interfacial context is crucial for spin-torque nano
oscillator (STNO) that consists of a non-magnetic spacer which is alloyed with
a ferromagnetic material. Currently, investigations on the dynamics of the free
layer magnetization and frequency enhancement in the STNO with bilinear
coupling are ... | 2306.11415v1 |
2023-06-27 | Utilizing multimodal microscopy to reconstruct Si/SiGe interfacial atomic disorder and infer its impacts on qubit variability | SiGe heteroepitaxial growth yields pristine host material for quantum dot
qubits, but residual interface disorder can lead to qubit-to-qubit variability
that might pose an obstacle to reliable SiGe-based quantum computing. We
demonstrate a technique to reconstruct 3D interfacial atomic structure spanning
multiqubit are... | 2306.15646v1 |
2023-07-04 | Quasi-crystalline order in vibrated granular matter | Quasi-crystals are aperiodic structures that present crystallographic
properties which are not compatible with that of a single unit cell. Their
revolutionary discovery in a metallic alloy, less than three decades ago, has
required a full reconsideration of what we defined as a crystal structure.
Surprisingly, quasi-cr... | 2307.01643v1 |
2023-07-05 | Comparative Analysis of THz Signal Emission from SiO$_2$/CoFeB/Metal Heterostructures: Wideband and High-Frequency THz Signal Advantage of PtBi-based Emitter | Spintronic THz emitters have attracted much attention due to their desirable
properties, such as affordability, ultra-wideband capability, high efficiency,
and tunable polarization. In this study, we investigate the characteristics of
THz signals, including their frequency, bandwidth, and amplitude, emitted from
a seri... | 2307.02232v1 |
2023-07-10 | NN-EVP: A physics informed neural network-based elasto-viscoplastic framework for predictions of grain size-aware flow response under large deformations | We propose a physics informed, neural network-based elasto-viscoplasticity
(NN-EVP) constitutive modeling framework for predicting the flow response in
metals as a function of underlying grain size. The developed NN-EVP algorithm
is based on input convex neural networks as a means to strictly enforce
thermodynamic cons... | 2307.04301v1 |
2023-07-12 | Extrinsic Anomalous Hall effect in Mn Doped GeSnTe Semiconductors in the Bad Metal Hopping Regime | We present high field magnetotransport studies of Ge1-x-y(SnxMny)Te bulk
multiferroics with diamagnetic Sn and paramagnetic Mn concentration x = 0.38 to
0.79 and y = 0.02 to 0.086, respectively. The zero field resistivity, {\rho}(T)
takes significant contribution from defects below T = 20 K however, a mixed
scattering ... | 2307.06271v1 |
2023-07-25 | Electronic transport computation in thermoelectric materials: From ab initio scattering rates to nanostructures | Over the last two decades a plethora of new thermoelectric materials, their
alloys, and their nanostructures were synthesized. The ZT figure of merit,
which quantifies the thermoelectric efficiency of these materials increased
from values of unity to values consistently beyond two across material
families. At the same ... | 2307.13800v1 |
2023-08-04 | Scalable Path Level Thermal History Simulation of PBF process validated by Melt Pool Images | In this paper we outline the development of a scalable PBF thermal history
simulation built on CAPL and based on melt pool physics and dynamics. The new
approach inherits linear scalability from CAPL and has three novel ingredients.
Firstly, to simulate the laser scanning on a solid surface, we discretize the
entire si... | 2308.02473v2 |
2023-08-04 | Processing and mechanical properties of novel biodegradable poly-lactic acid/Zn 3D printed scaffolds for application in tissue regeneration | The feasibility to manufacture scaffolds of poly-lactic acid reinforced with
Zn particles by fused filament fabrication is demonstrated for the first time.
Filaments of 2.85 mm in diameter of PLA reinforced with different weight
fractions of $\mu$m-sized Zn - 1 wt. \% Mg alloy particles (in the range 3.5 to
17.5 wt. \%... | 2308.03790v1 |
2023-08-08 | Absence of Tc-Pinning Phenomenon Under High Pressure in High-Entropy REO0.5F0.5BiS2 Layered Superconductor | Recently, robustness of superconductivity (transition temperature, Tc) under
high pressures has been observed in high-entropy alloy (HEA), bcc-type
Ti-Zr-Hf-Nb-Ta, and HEA-type compounds (Ag,In,Sn,Pb,Bi)Te with a NaCl-type
structure. Since those materials have three-dimensional crystal structure,
investigation on the p... | 2308.04081v2 |
2023-08-11 | Transcending the MAX phases concept of nanolaminated early transition metal carbides/nitrides -- the ZIA phases | A new potential class of nanolaminated and structurally complex materials,
herein conceived as the Zigzag IntermetAllic (ZIA) phases, is proposed. A study
of the constituent phases of a specific Nb--Si--Ni intermetallic alloy revealed
that its ternary H-phase, \textit{i.e.}, the Nb$_3$SiNi$_2$ intermetallic
compound (I... | 2308.06408v1 |
2023-08-14 | Domain branching in micromagnetism: scaling law for the global and local energies | We study the occurrence of domain branching in a class of $(d+1)$-dimensional
sharp interface models featuring the competition between an interfacial energy
and a non-local field energy. Our motivation comes from branching in uniaxial
ferromagnets corresponding to $d=2$, but our result also covers twinning in
shape-mem... | 2308.07239v2 |
2023-08-16 | Robust superconductivity and the suppression of charge-density wave in $\text{Ca}_{3}(\text{Ir}_{1-x}\text{Rh}_{x})_{4}\text{Sn}_{13}$ single crystals at ambient pressure | Single crystals of Ca$_3$(Ir$_{1-x}$Rh$_x$)$_4$Sn$_{13}$ (3-4-13) were
synthesized by flux growth and characterized by X-ray diffraction, EDX,
magnetization, resistivity and radio frequency magnetic susceptibility tunnel
diode resonator (TDR) techniques. Compositional variation of the Rh/Ir ratio
was used to study the ... | 2308.08679v1 |
2023-09-05 | Na-catalyzed rapid synthesis and characterization of intercalated graphite CaC6 | In this study, we conducted experiments on CaC6 for elucidating the
Na-catalyzed formation mechanism and achieving rapid mass synthesis of graphite
intercalation compounds (GICs). Rapidly synthesized CaC6 was characterized by
analysis of its crystal structure and physical properties. We found that the
formation of the ... | 2309.01942v1 |
2023-09-06 | Benchmarking Inverse Optimization Algorithms for Materials Design | Machine learning-based inverse materials discovery has attracted enormous
attention recently due to its flexibility in dealing with black box models.
Yet, many metaheuristic algorithms are not as widely applied to materials
discovery applications as machine learning methods. There are ongoing
challenges in applying dif... | 2309.02646v2 |
2023-09-21 | Post deposition interfacial Néel temperature tuning in magnetoelectric B:Cr2O3 | Boron (B) alloying transforms the magnetoelectric antiferromagnet Cr2O3 into
a multifunctional single-phase material which enables electric field driven
{\pi}/2 rotation of the N\'eel vector. Nonvolatile, voltage-controlled N\'eel
vector rotation is a much-desired material property in the context of
antiferromagnetic s... | 2309.12493v1 |
2023-09-21 | Superconductivity in Compositionally-Complex Cuprates with the YBa$_2$Cu$_3$O$_{7-x}$ Structure | High-temperature superconductivity is reported in a series of
compositionally-complex cuprates with varying degrees of size and spin
disorder. Three compositions of Y-site alloyed YBa$_2$Cu$_3$O$_{7-x}$, i.e.,
(5Y)BCO, were prepared using solid-state methods with different sets of rare
earth ions on the Y-site. Synchro... | 2309.12535v1 |
2023-09-22 | Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus and thermophysical properties of 3d, 4d and 5d transition metals | The recent development of the accurate and efficient semilocal density
functionals on the third rung of Jacob's ladder of density functional theory
such as the revised regularized strongly constrained and appropriately normed
(r2SCAN) density functional could enable the rapid and highly reliable
prediction of the elast... | 2309.12554v1 |
2023-09-24 | Deep learning based workflow for accelerated industrial X-ray Computed Tomography | X-ray computed tomography (XCT) is an important tool for high-resolution
non-destructive characterization of additively-manufactured metal components.
XCT reconstructions of metal components may have beam hardening artifacts such
as cupping and streaking which makes reliable detection of flaws and defects
challenging. ... | 2309.14371v1 |
2023-09-24 | CoSb3-based skutterudite nanocomposites prepared by cold sintering process with enhanced thermoelectric properties | We show here for the first time the use of a cold sintering process (CSP) to
sinter CoSb3-based thermoelectric materials. CSP at 150 {\deg}C for 90 min
under a uniaxial pressure of 750 MPa yields pieces with a relative density of
86 %, which is increased to around 92 % after a post-annealing at temperatures
> 500 {\deg... | 2309.14904v1 |
2023-09-24 | Novel one-pot sol-gel synthesis route of Fe3C/few-layered graphene core/shell nanoparticles embedded in a carbon matrix | Fe3C/few-layered graphene core/shell nanoparticles embedded in a carbon
matrix are synthesized by a novel two-step surfactant sol-gel strategy, where
the processes of hydrolysis, polycondensation and drying take place in a
one-pot. The present approach is based on the combined action of oleic acid and
oleylamine, which... | 2309.15858v1 |
2023-09-24 | Dense strontium hexaferrite-based permanent magnet composites assisted by cold sintering process | The use of rare-earth-based permanent magnets is one of the critical points
for the development of the current technology. On the one hand, industry of the
rare-earths is highly polluting due to the negative environmental impact of
their extraction and, on the other hand, the sector is potentially dependent on
China. T... | 2309.16038v1 |
2023-09-30 | Thermal Metamaterials for Temperature Maintenance: From Advances in Heat Conduction to Future Convection Prospects | Maintaining temperature is crucial in both daily life and industrial
settings, ensuring human comfort and device functionality. In the quest for
energy conservation and emission reduction, several contemporary passive
temperature control technologies have emerged, including phase change
temperature control, shape memor... | 2310.00487v1 |
2023-10-01 | Effect of Spin Fluctuations on Magnetoresistance and Anomalous Hall Effect in the Chiral Magnet Co8Zn8Mn4 | The beta Mn type Co-Zn-Mn alloys have seized significant attention due to
their ability to host skyrmions at room temperature. Here we analyse the
unconventional magneto-transport properties of Co8Zn8Mn4 single crystals with a
Curie temperature of 275 K. A negative magnetoresistance is obtained over a
wide temperature ... | 2310.00739v1 |
2023-10-09 | Composition and optical properties of (In,Ga)As nanowires grown by group-III-assisted molecular beam epitaxy | (In,Ga) alloy droplets are used to catalyse the growth of (In,Ga)As nanowires
by molecular beam epitaxy on Si(111) substrates. The composition, morphology
and optical properties of these nanowires can be tuned by the employed
elemental fluxes. To incorporate more than 10% of In, a high In/(In+Ga) flux
ratio above 0.7 i... | 2310.05582v1 |
2023-10-10 | Spatially resolved photoluminescence analysis of Se passivation and defect formation in CdSe$_{x}$Te$_{1-x}$ thin films | CdTe is the most commercially successful thin-film photovoltaic technology to
date. The recent development of Se-alloyed CdSe$_{x}$Te$_{1-x}$ layers in CdTe
solar cells has led to higher device efficiencies, due to a lowered bandgap
improving the photocurrent, improved voltage characteristics and longer carrier
lifetim... | 2310.06496v1 |
2023-10-18 | Substrate interaction mediated control of phase separation in FIB milled Ag-Cu thin films | Nanofabrication is an integral part of realization of advanced functional
devices ranging from optical displays to memory devices. Focused ion beam (FIB)
milling is one of the widely used nanofabrication methods. Conventionally, FIB
milling has been carried out for patterning single-phase stable thin films.
However, th... | 2310.11682v1 |
2023-10-22 | Controlling spin-orbit coupling to tailor type-II Dirac bands | NiTe2, a type-II Dirac semimetal with strongly tilted Dirac band, has been
explored extensively to understand its intriguing topological properties. Here,
using density-functional theory (DFT) calculations, we report that the strength
of spin-orbit coupling (SOC) in NiTe2 can be tuned by Se substitution. This
results i... | 2310.14202v1 |
2023-10-24 | Nanoscale transient polarization gratings | We present the generation of transient polarization gratings at the
nanoscale, achieved using a tailored accelerator configuration of the FERMI
free electron laser. We demonstrate the capabilities of such a transient
polarization grating by comparing its induced dynamics with the ones triggered
by a more conventional i... | 2310.15734v1 |
2023-10-24 | Characteristics of $\langle a \rangle$ Screw Dislocations Basal Slip in Titanium | Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium
(Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$
dislocations. Above room temperature, in situ transmission electron microscopy
straining experiments have shown that basal slip of $\langle a \rangle$ screw
dislocati... | 2310.15954v1 |
2023-10-26 | Multiband $k \cdot p$ theory for hexagonal germanium | The direct bandgap found in hexagonal germanium and some of its alloys with
silicon allows for an optically active material within the group-IV
semiconductor family with various potential technological applications.
However, there remain some unanswered questions regarding several aspects of
the band structiure, includ... | 2310.17366v2 |
2023-10-30 | Interfacial Tension Hysteresis of Eutectic Gallium-Indium | When in a pristine state, gallium and its alloys have the largest interfacial
tensions of any liquid at room temperature. Nonetheless, applying as little as
0.8 V of electric potential across eutectic gallium indium (EGaIn) placed
within aqueous NaOH (or other electrolyte) solution will cause the metal to
behave as if ... | 2310.19298v1 |
2023-10-30 | Strong in-plane magnetic anisotropy (Co0.15Fe0.85)5GeTe2/graphene van der Waals heterostructure spin-valve at room temperature | Van der Waals (vdW) magnets are promising owing to their tunable magnetic
properties with doping or alloy composition, where the strength of magnetic
interactions, their symmetry, and magnetic anisotropy can be tuned according to
the desired application. However, most of the vdW magnet based spintronic
devices are so f... | 2310.19618v1 |
2023-11-02 | Magnesium hydride films deposited on flexible substrates: Structure, morphology and hydrogen sorption properties | 1.8 micrometer-thick magnesium hydride films were synthesized in a
single-step process by reactive plasma-assisted sputtering. The MgH2 thin
films, which were deposited on two types of flexible surfaces (namely graphite
and polyimide foils) were found to adhere on both substrates. In all cases, XRD
analysis revealed an... | 2311.01071v1 |
2023-11-02 | Emergent half-metal with mixed structural order in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices | Using first-principles techniques, we study the structural, magnetic and
electronic properties of (111)-oriented
(LaMnO$_3$)$_{2n}$$\vert$(SrMnO$_3$)$_{n}$ superlattices of varying thickness
($n=2,4,6$). We find that the properties of the thinnest superlattice ($n=2$)
are similar to the celebrated half-metallic ferroma... | 2311.01081v2 |
2023-11-02 | Transient grating spectroscopy on a DyCo$_5$ thin film with femtosecond extreme ultraviolet pulses | Surface acoustic waves (SAWs) are excited by femtosecond extreme ultraviolet
(EUV) transient gratings (TGs) in a room-temperature ferrimagnetic DyCo$_5$
alloy. TGs are generated by crossing a pair of EUV pulses from a free electron
laser (FEL) with the wavelength of 20.8\,nm matching the Co $M$-edge, resulting
in a SAW... | 2311.01399v2 |
2023-11-02 | Expanded stability of layered SnSe-PbSe alloys and evidence of displacive phase transformation from rocksalt in heteroepitaxial thin films | Bulk PbSnSe has a two-phase region or miscibility gap as the crystal changes
from a Van der Waals-bonded orthorhombic 2D layered structure in SnSe-rich
compositions to the related 3D-bonded rocksalt structure in PbSe-rich
compositions with large contrast in the electrical, optical, and thermal
properties across this tr... | 2311.01514v2 |
2023-11-04 | Long nanomechanical resonators with circular cross-section | Fabrication of superconducting nanomechanical resonators for quantum
research, detectors and devices traditionally relies on a lithographic process,
resulting in oscillators with sharp edges and a suspended length limited to a
few 100 micrometres. We report a low-investment top-down approach to
fabricating NbTi nanowir... | 2311.02452v1 |
2023-11-04 | Uncertainty Quantification in Multivariable Regression for Material Property Prediction with Bayesian Neural Networks | With the increased use of data-driven approaches and machine learning-based
methods in material science, the importance of reliable uncertainty
quantification (UQ) of the predicted variables for informed decision-making
cannot be overstated. UQ in material property prediction poses unique
challenges, including the mult... | 2311.02495v2 |
2023-11-06 | Phase-field simulations of the effect of temperature and interface for zirconium $δ\mbox{-}$hydrides | Hydride precipitation in zirconium cladding materials can damage their
integrity and durability.Service temperature and material defects have a
significant effect on the dynamic growth of hydrides. In this study, we have
developed a phase field model based on the assumption of elastic behaviour
within a specific temper... | 2311.03162v1 |
2023-11-08 | Interaction of monoclinic ZrO$_2$ grain boundaries with oxygen vacancies, Sn and Nb -- implications for the corrosion of Zr alloy fuel cladding | We used density-functional-theory simulations to examine the structural and
electronic properties of the $\Sigma 180{\deg}(100)[001] $ grain boundary in
monoclinic ZrO$_2$, which is a very low-energy (0.06Jm$^{-2}$) twin boundary
present in experimental oxide texture maps, with suggested special properties.
This equili... | 2311.04667v1 |
2023-11-08 | Depth resolved study of annealing in IrMn/(Fe, Co, CoFe) exchange bias systems | Depth resolved study of structural and magnetic profiles of
antiferromagnetic/ferromagnetic (AFM/FM) system upon annealing was performed in
this work. We studied systems comprising of AFM IrMn and FM (Co, Fe,
Co$_{70}$Fe$_{30}$) structures using polarized neutron and soft X-ray
scattering, secondary neutral spectrometr... | 2311.04992v1 |
2023-11-09 | Optically Induced Ferromagnetic Order in a Ferrimagnet | The parallel or antiparallel arrangement of electron spins plays a pivotal
role in determining the properties of a physical system. To meet the demands
for innovative technological solutions, extensive efforts have been dedicated
to exploring effective methods for controlling and manipulating this
arrangement [1]. Amon... | 2311.05507v2 |
2023-11-20 | Comparison of PM-HIP to Forged SA508 Pressure Vessel Steel Under High-Dose Neutron Irradiation | Powder metallurgy with hot isostatic pressing (PM-HIP) is an advanced
manufacturing process that is envisioned to replace forging for heavy nuclear
components, including the reactor pressure vessel (RPV). But PM-HIP products
must at least demonstrate comparable irradiation tolerance than forgings in
order to be qualifi... | 2311.11548v1 |
2023-11-22 | Nanoporous gold thin films as substrates to analyze liquids by cryo-atom probe tomography | Cryogenic atom probe tomography (cryo-APT) is being developed to enable
nanoscale compositional analyses of frozen liquids. Yet, the availability of
readily available substrates that allow for the fixation of liquids while
providing sufficient strength to their interface, is still an issue. Here we
propose the use of 1... | 2311.13224v1 |
2023-11-22 | Phase-selective growth of $κ$- vs $β$-Ga$_2$O$_3$ and (In$_x$Ga$_{1-x}$)$_2$O$_3$ by In-mediated metal exchange catalysis in plasma-assisted molecular beam epitaxy | Its piezo- and potentially ferroelectric properties make the metastable kappa
polymorph of Ga$_2$O$_3$ an interesting material for multiple applications,
while In-incorporation into any polymorphs of Ga$_2$O$_3$ allows to lower their
bandgap. In this work, we provide a guideline to achieve single phase
$\kappa$-, $\bet... | 2311.13318v1 |
2023-11-24 | Can tunneling current in molecular junctions be so strongly temperature dependent to challenge a hopping mechanism? Analytical formulas answer this question and provide important insight into large area junctions | {Analytical equations like Richardson-Dushman's or Shockley's provided a
general, if simplified conceptual background, which was widely accepted in
conventional electronics and made a fundamental contribution to advances in the
field. In the attempt to develop a (highly desirable, but so far missing)
counterpart for mo... | 2311.14415v1 |
2023-11-15 | Inexpensive High Fidelity Melt Pool Models in Additive Manufacturing Using Generative Deep Diffusion | Defects in laser powder bed fusion (L-PBF) parts often result from the
meso-scale dynamics of the molten alloy near the laser, known as the melt pool.
For instance, the melt pool can directly contribute to the formation of
undesirable porosity, residual stress, and surface roughness in the final part.
Experimental in-s... | 2311.16168v1 |
2023-11-29 | DisMech: A Discrete Differential Geometry-based Physical Simulator for Soft Robots and Structures | Fast, accurate, and generalizable simulations are a key enabler of modern
advances in robot design and control. However, existing simulation frameworks
in robotics either model rigid environments and mechanisms only, or if they
include flexible or soft structures, suffer significantly in one or more of
these performanc... | 2311.18126v3 |
2023-11-30 | Mid-infrared top-gated Ge/Ge$_{0.82}$Sn$_{0.18}$ nanowire phototransistors | Achieving high crystalline quality Ge$_{1-x}$Sn$_{x}$ semiconductors at Sn
content exceeding 10\% is quintessential to implementing the long sought-after
silicon-compatible mid-infrared photonics. Herein, by using sub-20 nm Ge
nanowires as compliant growth substrates, Ge$_{1-x}$Sn$_{x}$ alloys with a Sn
content of 18\%... | 2311.18569v1 |
2023-12-06 | A Unified Empirical Equation for Determining the Mechanical Properties of Porous NiTi Alloy: From Nanoporosity to Microporosity | The mechanical characteristics of a monolithic (non-porous) crystalline or
amorphous material are described by a well-defined set of quantities. It is
possible to change the mechanical properties by introducing porosity into this
material: as a rule, the strength values decrease with the introduction of
porosity. Thus,... | 2312.03308v1 |
2023-12-11 | Investigating intrinsic silicon oxide and a lightly doped p-type layer for evolution of tail states and estimating its impact as a passivation layer in a HIT type device | Hydrogenated amorphous silicon is well known for its various alloys and wide
ranging opto-electronic properties. Hydrogenated silicon sub-oxide (aSiO:H) is
one of them. The effect of boron doping on optoelectronic properties of the
aSiO:H have been investigated with intrinsic and delta-doped materials. The
Urbach energ... | 2312.06111v1 |
2023-12-12 | Microscale stress-geometry interactions in an additively manufactured NiTi cardiovascular stent: A synchrotron dual imaging tomography and diffraction study | This study explores cardiovascular stents fabricated using laser powder bed
fusion (LPBF); an emerging method to offer patient-specific customisable parts.
Here, the shape memory alloy NiTi, in a near equiatomic composition, was
investigated to deconvolve the material response from macroscopic component
effects. Specif... | 2312.07480v1 |
2023-12-15 | Bridging the Semantic-Numerical Gap: A Numerical Reasoning Method of Cross-modal Knowledge Graph for Material Property Prediction | Using machine learning (ML) techniques to predict material properties is a
crucial research topic. These properties depend on numerical data and semantic
factors. Due to the limitations of small-sample datasets, existing methods
typically adopt ML algorithms to regress numerical properties or transfer other
pre-trained... | 2312.09744v1 |
2023-12-19 | Fermi-level pinning in ErAs nanoparticles embedded in III-V semiconductors | Embedding rare-earth pnictide (RE-V) nanoparticles into III-V semiconductors
enables unique optical, electrical, and thermal properties, with applications
in THz photoconductive switches, tunnel junctions, and thermoelectric devices.
Despite the high structural quality and control over growth, particle size, and
densit... | 2312.12184v1 |
2023-12-19 | On the role of Grain Boundary Character in the Stress Corrosion Cracking of Nanoporous Gold Thin Films | For its potential as a catalyst, nanoporous gold (NPG) prepared through
dealloying of bulk Ag-Au alloys has been extensively investigated. NPG thin
films can offer ease of handling, better tunability of the chemistry and
microstructure of the nanoporous structure, and represent a more sustainable
usage of scarce resour... | 2312.12235v1 |
2023-12-20 | Ultraclean two-dimensional hole systems with mobilities exceeding 10$^7$ cm$^2$/Vs | Owing to their large effective mass, strong and tunable spin-orbit coupling,
and complex band-structure, two-dimensional hole systems (2DHSs) in GaAs
quantum wells provide rich platforms to probe exotic many-body physics, while
also offering potential applications in ballistic and spintronics devices, and
fault-toleran... | 2312.13491v1 |
2023-12-22 | Suppressing instabilities in mixed baroclinic flow using an actuation based on receptivity | This paper presents a method to stabilise oscillations occurring in a mixed
convective flow in a nearly hemispherical cavity, using an actuation modelled
on the receptivity map of the unstable mode underpinning these oscillations.
This configuration represents a simplified model inspired from the continuous
casting of ... | 2312.15121v1 |
2024-01-09 | Unbiased Atomistic Predictions of Crystal Dislocation Dynamics using Bayesian Force Fields | Crystal dislocation dynamics, especially at high temperatures, represents a
subject where experimental phenomenological input is commonly required, and
parameter-free predictions, starting from quantum methods, have been beyond
reach. This is especially true for phenomena like stacking faults and
dislocation cross-slip... | 2401.04359v1 |
2024-01-10 | Phase discovery with active learning: Application to structural phase transitions in equiatomic NiTi | Nickel titanium (NiTi) is a protypical shape-memory alloy used in a range of
biomedical and engineering devices, but direct molecular dynamics simulations
of the martensitic B19' -> B2 phase transition driving its shape-memory
behavior are rare and have relied on classical force fields with limited
accuracy. Here, we t... | 2401.05568v1 |
2024-01-22 | Quantitative measurement of figure of merit for transverse thermoelectric conversion in Fe/Pt metallic multilayers | This study presents a measurement method for determining the figure of merit
for transverse thermoelectric conversion ($ z_\mathrm{T}T $) in thin film
forms. Leveraging the proposed methodology, we comprehensively investigate the
transverse thermoelectric coefficient ($ S_\mathrm{T} $), in-plane electrical
conductivity... | 2401.11692v1 |
2024-01-22 | Exploring descriptors for titanium microstructure via digital fingerprints from variational autoencoders | Microstructure is key to controlling and understanding the properties of
metallic materials, but traditional approaches to describing microstructure
capture only a small number of features. To enable data-centric approaches to
materials discovery, allow efficient storage of microstructural data and assist
in quality co... | 2401.11967v1 |
2024-01-24 | Comparative study of the high-pressure behavior of ZnV2O6, Zn2V2O7, and Zn3V2O8 | We report a study of the high-pressure structural behavior of ZnV2O6,
Zn2V2O7, and Zn3V2O8, which has been explored by means of synchrotron powder
x-ray diffraction. We found that ZnV2O6 and Zn3V2O8 remain in the
ambient-pressure structure up to 15 GPa. In contrast, in the same pressure
range, Zn2V2O7 undergoes three p... | 2401.13440v1 |
2024-01-24 | Equilibrium structure and shape of Ag and Pt nanoparticles grown on silica surfaces: from experimental investigations to the determination of a metal-silica potential | A combination of experimental and numerical calculations on metallic silver
and platinum nanoparticles deposited on silica substrates is presented, with a
focus on the metal-substrate interactions. Experimentally, the nanoparticles
are elaborated under ultra-high vacuum and characterized by Grazing-Incidence
Small-Angl... | 2401.13528v1 |
2024-01-31 | Unravelling the polarity of InN quantum dots using a modified approach of negative-spherical-aberration imaging | InN quantum dots (QDs) are considered to be promising nanostructures for
different device applications. For any hexagonal AB stacking semiconductor
system, polarity is an important feature which affects the electronic
properties. Therefore, the determination of this characteristic on any wurtzite
(semi)polar III nitrid... | 2402.00213v1 |
2024-02-05 | Thermal expansion and temperature dependence of Raman modes in epitaxial layers of Ge and Ge$_{1-x}$Sn$_{x}$ | Temperature dependence of vibrational modes in semiconductors depends on
lattice thermal expansion and anharmonic phonon-phonon scattering. Evaluating
the two contributions from experimental data is not straightforward, especially
for epitaxial layers that present mechanical deformation and anisotropic
lattice expansio... | 2402.02967v1 |
2024-02-04 | High temperature internal friction in a Ti-46Al-1Mo-0.2Si intermetallic, comparison with creep behaviour | Advanced g-TiAl based intermetallics Mo-bearing have been developed to obtain
the fine-grained microstructure required for superplastic deformation to be
used during further processing. In the present work we have studied an alloy of
Ti-46Al-1Mo-0.2Si (at%) with two different microstructures, as-cast material
with a co... | 2402.03389v1 |
2024-02-15 | Quasicrystals as an intermediate form of matter between crystalline and amorphous solids | Quasicrystals have been observed in a variety of materials ranging from metal
alloys to block copolymers and represent an "intermediate" form of matter
between crystals and amorphous materials (glasses and liquids) in that their
structural and dynamical properties can not readily described in terms of
conventional soli... | 2402.10295v1 |
2024-02-19 | Breaks in the Hall-Petch Relationship after Severe Plastic Deformation of Magnesium, Aluminum, Copper, and Iron | Strengthening by grain refinement via the Hall-Petch mechanism and softening
by nanograin formation via the inverse Hall-Petch mechanism have been the
subject of argument for decades, particularly for ultrafine-grained materials.
In this study, the Hall-Petch relationship is examined for ultrafine-grained
magnesium, al... | 2402.11798v1 |
2024-02-21 | Discrete slip plane analysis of ferrite microtensile tests: On the influence of dislocation source distribution and non-Schmid effects on slip system activity | The slip system activity in microtensile tests of ferrite single crystals is
compared with predictions made by the discrete slip plane model proposed by
Wijnen et al. (International Journal of Solids and Structures 228, 111094,
2021). This is an extension of conventional crystal plasticity in which the
stochastics and ... | 2402.14168v1 |
2024-02-22 | Pressure tunable magnetic skyrmion phase in Co8Zn8Mn4 single crystals | In a magnetic skyrmion phase, magnetic moments form vortex-like topological
textures which are of both fundamental and industrial interests. In
$\beta$-Mn-type Co-Zn-Mn alloys, chrial magnetic skyrmions emerge above room
temperature, providing a unique system for studying the skrymion physics and
exploring spintronics ... | 2402.14477v1 |
2024-02-25 | Accurate predictions of keyhole depths using machine learning-aided simulations | The keyhole phenomenon is widely observed in laser materials processing,
including laser welding, remelting, cladding, drilling, and additive
manufacturing. Keyhole-induced defects, primarily pores, dramatically affect
the performance of final products, impeding the broad use of these laser-based
technologies. The form... | 2402.16190v1 |
2024-02-27 | Field, frequency and temperature dependence of the surface resistance of nitrogen diffused niobium superconducting radio frequency cavities | We report the RF performance of several single-cell superconducting
radio-frequency cavities subjected to low temperature heat treatment in
nitrogen environment. The cavities were treated at temperature 120 - 165 C for
an extended period of time (24 - 48 hours) either in high vacuum or in a low
partial pressure of ultr... | 2402.17458v2 |
2024-03-04 | SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis | Recent breakthroughs in Large Language Models (LLMs) have revolutionized
natural language understanding and generation, igniting a surge of interest in
leveraging these technologies in the field of scientific literature analysis.
Existing benchmarks, however, inadequately evaluate the proficiency of LLMs in
scientific ... | 2403.01976v2 |
2024-03-06 | Chemically Tailored Growth of 2D Semiconductors via Hybrid Metal-Organic Chemical Vapor Deposition | Two-dimensional (2D) semiconducting transition-metal dichalcogenides (TMDCs)
are an exciting platform for new excitonic physics and next-generation
electronics, creating a strong demand to understand their growth, doping, and
heterostructures. Despite significant progress in solid-source (SS-) and
metal-organic chemica... | 2403.03482v1 |
2024-03-07 | Investigation of low band gap silicon alloy thin film solar cell for improving short and long wavelength response | Numerical simulation of a solar cell can provide various information that can
be useful to maximize its power conversion efficiency (PCE). In that respect we
carried out a set of numerical simulation using AFORS-HET simulation program.
Separately, in order to get a better understanding, the optical absorption in
indivi... | 2403.04637v2 |
2024-03-11 | VLEIBot: A New 45-mg Swimming Microrobot Driven by a Bioinspired Anguilliform Propulsor | This paper presents the VLEIBot^* (Very Little Eel-Inspired roBot), a
45-mg/23-mm^3 microrobotic swimmer that is propelled by a bioinspired
anguilliform propulsor. The propulsor is excited by a single 6-mg
high-work-density (HWD) microactuator and undulates periodically due to wave
propagation phenomena generated by fl... | 2403.07073v1 |
2024-03-13 | Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites | Metal-organic frameworks (MOFs) are promising materials for gas sensing but
are often limited to single-use detection. We demonstrate a hybridization
strategy synergistically deploying conductive MOFs (cMOFs) and conductive
polymers (cPs) as two complementary mixed ionic-electronic conductors in
high-performing stand-a... | 2403.08914v1 |
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