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2018-04-26
Ultrasensitive Detection Enabled by Nonlinear Magnetization of Nanomagnetic Labels
Geometrically confined magnetic particles due to their unique response to external magnetic fields find a variety of applications, including magnetic guidance, heat and drug delivery, magneto-mechanical actuation, and contrast enhancement. Highly sensitive detection and imaging techniques based on nonlinear properties ...
1804.09908v1
2019-03-04
Strong magnetoelastic effect in CeCo$_{1-x}$Fe$_{x}$Si as Néel order is suppressed
A very strong magnetoelastic effect in the CeCo$_{1-x}$Fe$_{x}$Si alloys is reported. The strength of the magnetostrictive effect can be tuned upon changing $x$. The moderate low-temperature linear magnetostriction observed at low Fe concentrations becomes very large ($\frac {\Delta L}{L} \left(16 T,2 K\right) =$ 3$\ti...
1903.01383v1
2019-03-07
Electromechanical actuation of pristine graphene and graphene oxide: origin, optimization, and comparison
It is well recognized that the miniaturization of electromechanical devices will bring a revolution to humanity in the coming decades synonymous with the effects of miniaturizing electronic devices in those previous. An electromechanical actuator - a device that converts electrical energy to mechanical deformation or m...
1903.02729v1
2019-03-07
Correction of Electron Back-scattered Diffraction datasets using an evolutionary algorithm
In materials science and particularly electron microscopy, Electron Back-scatter Diffraction (EBSD) is a common and powerful mapping technique for collecting local crystallographic data at the sub-micron scale. The quality of the reconstruction of the maps is critical to study the spatial distribution of phases and cry...
1903.02982v1
2019-03-11
THz emission from Co/Pt bilayers with varied roughness, crystal structure, and interface intermixing
Femtosecond laser excitation of a Co/Pt bilayer results in the efficient emission of picosecond THz pulses. Two known mechanisms for generating THz emission are spin-polarized currents through a Co/Pt interface, resulting in helicity-independent electric currents in the Pt layer due to the inverse spin-Hall effect and ...
1903.04423v2
2019-03-13
Thickness dependence of magnetization reversal and magnetostriction in FeGa thin films
Among the magnetostrictive alloys the one formed of iron and gallium (called "Galfenol" from its U.S. Office of Naval Research discoverers in the late 90's) is attractive for its low hysteresis, good tensile stress, good machinability and its rare-earth free composition. One of its applications is its association with ...
1903.05397v2
2019-03-15
Additively manufactured ultra-high vacuum chamber below $10^{-10}$ mbar
Metal-based additive manufacturing (AM) represents a paradigm change in engineering and production methods across multiple industries and sectors. AM methods enable mass reduction and performance optimisation well beyond that achievable via conventional manufacturing, thereby impacting significantly on aerospace and sp...
1903.07708v3
2019-03-22
Advanced Non-Destructive in Situ Characterization of Metals with the French Collaborating Research Group D2AM/BM02 Beamline at the European Synchrotron Radiation Facility
The ability to non-destructively measure the structural properties of devices, either in situ or operando, are now possible using an intense X-ray synchrotron source combined with specialized equipment. This tool attracted researchers, in particular metallurgists, to attempt more complex and ambitious experiments aimed...
1903.09390v1
2019-03-25
Effect of the Thickness on the Fracturing Behavior of Discontinuous Fiber Composite Structures
In this study, we investigate experimentally and numerically the mode I intra-laminar fracture and size effect of Discontinuous Fiber Composites (DFCs) as a function of the structure thicknesses. By testing geometrically-scaled Single Edge Notch Tension (SENT) specimens a notable structure size effect on the nominal ...
1903.10539v1
2019-03-28
Nanostructure phase and interface engineering via controlled Au self-assembly on GaAs(001) surface
We have investigated the temperature-dependent morphology and composition changes occurring during a controlled self-assembling of thin Au film on the Gallium arsenide (001) surface utilizing electron microscopy at nano and atomic levels. It has been found that the deposition of 2 ML of Au at a substrate temperature lo...
1903.12028v2
2019-05-09
Phase domain boundary motion and memristance in gradient-doped FeRh nanopillars induced by spin injection
The B2-ordered alloy FeRh shows a metamagnetic phase transition, transforming from antiferromagnetic (AF) to ferromagnetic (FM) order at a temperature $T_\mathrm{t} \sim 380 $~K in bulk. As well as temperature, the phase transition can be triggered by many means such as strain, chemical doping, or magnetic or electric ...
1905.03573v3
2019-05-13
First-principles high pressure studies on group-14 element pernitrides
The search for ultra hard materials is inevitable in high pressure device applications. Nitrides of group-14 elements have been foreseen as potential candidates in replacing existing hard materials. In a recent experiment, pyrite structures of SiN2, GeN2 and SnN2 have been synthesized at high pressure and were shown to...
1905.04950v2
2019-05-13
Kinetics of phase separation, border of miscibility gap in Fe-Cr and limit of Cr solubility in iron at 832 K
Kinetics of phase decomposition accompanied by precipitation of sigma-phase in a Fe73.7Cr26.3 alloy isothermally annealed at 832 K was studied by means of M\"ossbauer spectroscopy. Two stage decomposition process has been revealed by three different quantities viz. the average hyperfine field, <H>, the short-range para...
1905.05156v1
2019-05-16
Dimensional crossover and topological nature of the thin films of a three-dimensional topological insulator by band gap engineering
Identification and control of topological phases in topological thin films offer great opportunity for fundamental research and the fabrication of topology-based devices. Here, combining molecular beam epitaxy, angle-resolved photoemission spectroscopy and ab-initio calculations, we investigate the electronic structure...
1905.06776v1
2019-05-16
Novel Hierarchical Correlation Functions for Quantitative Representation of Complex Heterogeneous Materials and Microstructural Evolution
Effective and accurate characterization and quantification of complex microstructure of a heterogeneous material and its evolution under external stimuli are very challenging, yet crucial to achieving reliable material performance prediction, processing optimization and advanced material design. Here, we address this c...
1905.06979v1
2019-05-21
A Controllable and Highly Propagative Hybrid Surface Plasmon-Phonon Polariton in a CdZnO-based Two-Interface System
The development of new nanophotonic devices requires the understanding and modulation of the propagating surface plasmon and phonon modes arising in plasmonic and polar dielectric materials, respectively. Here we explore the CdZnO alloy as a plasmonic material, with a tunable plasma frequency and reduced losses compare...
1905.08660v1
2019-05-27
Magnetic control of flexible thermoelectric devices based on macroscopic 3D interconnected nanowire networks
Spin-related effects in thermoelectricity can be used to design more efficient refrigerators and offer novel promising applications for the harvesting of thermal energy. The key challenge is to design structural and compositional magnetic material systems with sufficiently high efficiency and power output for transform...
1905.11072v1
2019-05-27
Time-resolved imaging of non-diffusive carrier transport in long-lifetime halide perovskite thin films
Owing to their exceptional semiconducting properties, hybrid inorganic-organic perovskites show great promise as photovoltaic absorbers. In these materials, long-range diffusion of charge carriers allows for most of the photogenerated carriers to contribute to the photovoltaic efficiency. Here, time-resolved photolumin...
1905.11242v1
2019-05-29
Circular photocurrent in Weyl semimetals with mirror symmetry
We have studied theoretically the Weyl semimetals the point symmetry group of which has reflection planes and which contain equivalent valleys with opposite chiralities. These include the most frequently studied compounds, namely the transition metals monopnictides TaAs, NbAs, TaP, NbP, and also Bi$_{1-x}$Sb$_x$ alloys...
1905.12273v1
2019-08-01
The CLASS 150/220 GHz Polarimeter Array: Design, Assembly, and Characterization
We report on the development of a polarization-sensitive dichroic (150/220 GHz) detector array for the Cosmology Large Angular Scale Surveyor (CLASS) delivered to the telescope site in June 2019. In concert with existing 40 and 90 GHz telescopes, the 150/220 GHz telescope will make observations of the cosmic microwave ...
1908.00480v2
2019-08-04
Prediction of three-fold fermions in a nearly-ideal Dirac semimetal BaAgAs
Materials with triply-degenerate nodal points in their low-energy electronic spectrum produce crystalline-symmetry-enforced three-fold fermions, which conceptually lie between the two-fold Weyl and four-fold Dirac fermions. Here we show how a silver-based Dirac semimetal BaAgAs realizes three-fold fermions through our ...
1908.01336v1
2019-08-12
Advancing characterisation with statistics from correlative electron diffraction and X-ray spectroscopy, in the scanning electron microscope
The routine and unique determination of minor phases in microstructures is critical to materials science. In metallurgy alone, applications include alloy and process development and the understanding of degradation in service. We develop a correlative method, exploring superalloy microstructures which are examined in t...
1908.04084v2
2019-08-25
Sputtered MoRe SQUID-on-tip for high-field magnetic and thermal nanoimaging
Scanning nanoscale superconducting quantum interference devices (SQUIDs) are gaining interest as highly sensitive microscopic magnetic and thermal characterization tools of quantum and topological states of matter and devices. Here we introduce a novel technique of collimated differential-pressure magnetron sputtering ...
1908.09305v1
2019-08-29
Fully analytic valence force field model for the elastic and inner elastic properties of diamond and zincblende crystals
Using a valence force field model based on that introduced by Martin, we present three related methods through which we analytically determine valence force field parameters. The methods introduced allow easy derivation of valence force field parameters in terms of the Kleinman parameter $\zeta$ and bulk properties of ...
1908.11245v1
2019-09-03
Boron Arsenide Heterostructures: Lattice-Matched Heterointerfaces, and Strain Effects on Band Alignments and Mobility
BAs is III-V semiconductor with ultra-high thermal conductivity, but many of its electronic properties are unknown. This work applies predictive atomistic calculations to investigate the properties of BAs heterostructures, such as strain effects on band alignments and carrier mobility, considering BAs as both a thin fi...
1909.01449v1
2019-09-16
Ferrovolcanism on metal worlds and the origin of pallasites
As differentiated planetesimals cool, their cores can solidify from the outside-in, as evidenced by paleomagnetic measurements and cooling rate estimates of iron meteorites. The details of outside-in solidification and fate of residual core melt are poorly understood. For a core primarily composed of Fe and Ni alloyed ...
1909.07451v1
2019-09-19
Modeling and simulation of heat source trajectories through phase-change materials
The modeling and simulation of heat source trajectories through phase-change materials is a relevant problem both for space exploration and for terrestrial climate research, among other fields. In space, the DLR and NASA are both interested in exploring beneath the surfaces of icy moons, primarily Enceladus and Europa,...
1909.08882v1
2019-09-21
Tailoring the optical and physical properties of La doped ZnO nanostructured thin films
The modification and tailoring the characteristics of nanostructured materials are of great interest due to controllable and unusual inherent properties in such materials. A simple spray pyrolysis technique is used to prepare pure and La-doped ZnO films. The influence of La concentration (0, 0.33, 0.45, 0.66, 0.92 and ...
1909.09869v1
2019-09-28
Quantification of 3D spatial correlations between state variables and distances to the grain boundary network in full-field crystal plasticity spectral method simulations
Deformation microstructure heterogeneities play a pivotal role during dislocation patterning and interface network restructuring. Thus, they affect indirectly how an alloy recrystallizes if at all. Given this relevance, it has become common practice to study the evolution of deformation microstructure heterogeneities w...
1909.13038v1
2019-12-03
Crystal structure, cobalt and iron speciation and oxygen non-stoichiometry of La0.6Sr0.4Co1-yFeyO3-d nanorods for IT-SOFC cathodes
Single-phased La0.6Sr0.4Co1-yFeyO3-d (y = 0.2, 0.5, 0.8) nanorods exhibiting the rhombohedral perovskite-type phase were synthesized by a pore-wetting technique. We studied their chemical composition, crystal and electronic structures, morphology and hyperfine properties as a function of the Co/Fe content of the sample...
1912.01631v1
2019-12-09
Nature of the 5$f$ electronic structure of plutonium
Plutonium (Pu), in which the 5$f$ valence electrons always wander the boundary between localized and itinerant states, exhibits quite complex crystal structures and unprecedentedly anomalous properties with respect to temperature and alloying. Understanding its chemical and physical properties, especially its 5$f$ elec...
1912.04040v1
2019-12-10
Tropical Limit for Configurational Geometry in Discrete Thermodynamic Systems
For classical discrete systems with constant composition (typically referred to substitutional alloys) under thermodynamically equilibrium state, macroscopic structure should in principle depend on temperature and many-body interaction through Boltzmann factor, exp(-bE). Despite this fact, our recently find that (i) th...
1912.04528v2
2019-12-11
Ab initio approach to the elastic, electronic, and optical properties of MoTe2: A topological Weyl semimetal
The topological Weyl semimetal MoTe2, in the orthorhombic phase, is an important system both from the point of view of fundamental physics and potential applications. In this study we have investigated the elastic, electronic, bonding and optical properties of MoTe2 using density functional theory. Study of the elastic...
1912.05112v1
2019-12-12
CRNs Exposed: Systematic Exploration of Chemical Reaction Networks
Formal methods have enabled breakthroughs in many fields, such as in hardware verification, machine learning and biological systems. The key object of interest in systems biology, synthetic biology, and molecular programming is chemical reaction networks (CRNs) which formalizes coupled chemical reactions in a well-mixe...
1912.06197v2
2019-12-16
Asymmetric Magnetic Relaxation behavior of Domains and Domain Walls Observed Through the FeRh First-Order Metamagnetic Phase Transition
The phase coexistence present through a first-order phase transition means there will be finite regions between the two phases where the structure of the system will vary from one phase to the other, known as a phase boundary wall. This region is said to play an important but unknown role in the dynamics of the first-o...
1912.07635v3
2019-12-25
A Study of the Learnability of Relational Properties: Model Counting Meets Machine Learning (MCML)
This paper introduces the MCML approach for empirically studying the learnability of relational properties that can be expressed in the well-known software design language Alloy. A key novelty of MCML is quantification of the performance of and semantic differences among trained machine learning (ML) models, specifical...
1912.11580v2
2020-02-15
Understanding high ordering temperature in Gd$_6$FeBi$_2$ magnet: critical behavior, electronic structure and crystal-field analysis
Gd6FeBi2 is reported as the only one room-temperature magnet with a Curie temperature (Tc) of ca. 350 K among more than hundreds of compounds with its structural type, which makes it more attractive in potential applications. To reveal the origin of such high ordering temperature, critical behaviors, electronic structu...
2002.06402v1
2020-02-17
Optimization and Validation of a Deep Learning CuZr Atomistic Potential: Robust Applications for Crystalline and Amorphous Phases with near-DFT Accuracy
We show that a deep-learning neural network potential (DP) based on density functional theory (DFT) calculations can well describe Cu-Zr materials, an example of a binary alloy system that can coexist in several ordered intermetallics and as an amorphous phase. The complex phase diagram for Cu-Zr makes it a challenging...
2002.06763v1
2020-02-18
Flow regimes of Rayleigh-Bénard convection in a vertical magnetic field
The effects of a vertical static magnetic field on the flow structure and global transport properties of momentum and heat in liquid metal Rayleigh-B\'enard convection are investigated. Experiments are conducted in a cylindrical convection cell of unity aspect ratio, filled with the alloy GaInSn at a low Prandtl number...
2002.07414v1
2020-02-24
Flexible Amorphous Superconducting Materials and Quantum Devices with Unexpected Tunability
In superconductivity, electrons exhibit unique macroscopic collective quantum behavior that is the key for many modern quantum technologies. This electron behavior stems vastly from coupling to a correlated motion of atoms in the material, as well as from synchronized directional movement that screens external magnetic...
2002.10297v2
2020-03-02
On the appearance of fractional operators in non-linear stress-strain relation of metals
Finding an accurate stress-strain relation, able to describe the mechanical behavior of metals during {forming} and machining processes, is an important challenge in several fields of mechanics, with significant repercussions in the technological field. Indeed, in order to predict the real mechanical behavior of materi...
2003.00756v1
2020-03-02
An integral method for the calculation of the reduction in interfacial free energy due to interfacial segregation
A method based on the Gibbs' adsorption isotherm is developed to calculate the decrease in interfacial free energy resulting from solute segregation at an internal interface, built on measured concentration profiles. Utilizing atom-probe tomography (APT), we first measure a concentration profile of the relative interfa...
2003.01246v1
2020-03-04
A versatile numerical approach for calculating the fracture toughness and R-curves of cellular materials
We develop a numerical methodology for the calculation of mode-I R-curves of brittle and elastoplastic lattice materials, and unveil the impact of lattice topology, relative density and constituent material behavior on the toughening response of 2D isotropic lattices. The approach is based on finite element calculation...
2003.01923v2
2020-03-05
Chemical Bonding in Metallic Glasses from Machine Learning and Crystal Orbital Hamilton Population
The chemistry (composition and bonding information) of metallic glasses (MGs) is at least as important as structural topology for understanding their properties and production/processing peculiarities. This article reports a machine learning (ML)-based approach that brings an unprecedented "big picture" view of chemica...
2003.02722v3
2020-03-06
Search for axion-like dark matter with ferromagnets
Existence of dark matter indicates the presence of unknown fundamental laws of nature. Ultralight axion-like particles are well-motivated dark matter candidates, emerging naturally from theories of physics at ultrahigh energies. We report the results of a direct search for the electromagnetic interaction of axion-like ...
2003.03348v2
2020-03-15
Cost-effective search for lower-error region in material parameter space using multifidelity Gaussian process modeling
Information regarding precipitate shapes is critical for estimating material parameters. Hence, we considered estimating a region of material parameter space in which a computational model produces precipitates having shapes similar to those observed in the experimental images. This region, called the lower-error regio...
2003.13428v1
2020-03-30
Slip-hydride interactions in Zircaloy-4: Multiscale mechanical testing and characterisation
The interactions between {\delta}-hydrides and plastic slip in a commercial zirconium alloy, Zircaloy-4, under stress were studied using in situ secondary electron microscope (SEM) micropillar compression tests of single crystal samples and ex situ digital image correlation (DIC) macroscale tensile tests of polycrystal...
2003.13610v2
2020-06-04
Hot Hydride Superconductivity above 550 K
The search for room temperature superconductivity has accelerated dramatically in the last few years driven largely by theoretical predictions that first indicated alloying dense hydrogen with other elements could produce conventional phonon-mediated superconductivity at very high temperatures and at accessible pressur...
2006.03004v1
2020-06-10
Electron spin-vorticity coupling in low and high Reynolds number pipe flows
Spin hydrodynamic coupling is a recently discovered method to directly generate electricity from an electrically conducting fluid flow in the absence of Lorentz forces. This method relies on a collective coupling of electron spins - the internal quantum mechanical angular momentum of the electrons - with the local vort...
2006.05699v1
2020-06-10
Electronic properties of type-II GaAs$_{1-x}$Sb$_{x}$/GaAs quantum rings for applications in intermediate-band solar cells
We present a theoretical analysis of the electronic properties of type-II GaAs$_{1-x}$Sb$_{x}$/GaAs quantum rings (QRs), from the perspective of applications in intermediate band solar cells (IBSCs). We outline the analytical solution of Schr\"{o}dinger's equation for a cylindrical QR of infinite potential depth, and d...
2006.05767v1
2020-06-14
Ferroelastic-switching-driven colossal shear strain and piezoelectricity in a hybrid ferroelectric
Materials that can produce large controllable strains are widely used in shape memory devices, actuators and sensors. Great efforts have been made to improve the strain outputs of various material systems. Among them, ferroelastic transitions underpin giant reversible strains in electrically-driven ferro/piezoelectrics...
2006.07883v1
2020-06-15
Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries
Bismuth has recently attracted interest in connection with Na-ion battery anodes due to its high volumetric capacity. It reacts with Na to form Na$_3$Bi which is a prototypical Dirac semimetal with a nontrivial electronic structure. Density-functional-theory based first-principles calculations are playing a key role in...
2006.08585v1
2020-06-19
Bayesian Optimization with Missing Inputs
Bayesian optimization (BO) is an efficient method for optimizing expensive black-box functions. In real-world applications, BO often faces a major problem of missing values in inputs. The missing inputs can happen in two cases. First, the historical data for training BO often contain missing values. Second, when perfor...
2006.10948v1
2020-06-21
Type-II Superconductivity below 4K in Sn0.4Sb0.6
In this article, we report the occurrence of superconductivity in Sn0.4Sb0.6 single crystal at below 4K. Rietveld refined Powder XRD data confirms the phase purity of as grown crystal, crystallizing in rhombohedral R-3m space group with an elongated (2xc) unit cell in c-direction. Scanning Electron Microscope (SEM) ima...
2006.11722v1
2020-06-24
Multiscale Simulations of Complex Systems by Learning their Effective Dynamics
Predictive simulations of complex systems are essential for applications ranging from weather forecasting to drug design. The veracity of these predictions hinges on their capacity to capture the effective system dynamics. Massively parallel simulations predict the system dynamics by resolving all spatiotemporal scales...
2006.13431v3
2020-06-24
Predicting the propensity for thermally activated $β$ events in metallic glasses via interpretable machine learning
The elementary excitations in metallic glasses (MGs), i.e., $\beta$ processes that involve hopping between nearby sub-basins, underlie many unusual properties of the amorphous alloys. A high-efficacy prediction of the propensity for those activated processes from solely the atomic positions, however, has remained a dau...
2006.13552v1
2020-06-28
Self-consistent renormalization group approach to continuous phase transitions in alloys. Application to ordering in $β$-brass
A self-consistent (SC) renormalization group approach of the effective medium kind has been developed and applied to the solution of the Ising model (IM). A renormalization group equation in the local potential approximation (LPA) derived previously for spatially homogeneous systems has been extended to the lattice cas...
2006.15533v2
2020-06-29
Irreversible Heat Flow Across Phase Boundaries in Phase-Separated Manganites
We have investigated the change in entropy with direct measurements of heat flow as a function of magnetic field at fixed temperatures across the entire phase diagram of the phase-separated (PS) compound La$_{0.25}$Pr$_{0.375}$Ca$_{0.375}$MnO$_3$ (LPCMO). At this composition, the compound shows competing charge-ordered...
2006.16381v2
2020-07-07
Crystal orientation dictated epitaxy of ultrawide bandgap 5.4-8.6 eV $α$-(AlGa)$_2$O$_3$ on m-plane sapphire
Ultra-wide bandgap semiconductors are ushering in the next generation of high power electronics. The correct crystal orientation can make or break successful epitaxy of such semiconductors. Here it is discovered that single-crystalline layers of $\alpha$-(AlGa)$_2$O$_3$ alloys spanning bandgaps of 5.4 - 8.6 eV can be g...
2007.03415v2
2020-07-09
Plastic yielding and deformation bursts in the presence of disorder from coherent precipitates
Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in determining the nature of collective dislocation dynamics remains to be understood. Here...
2007.04724v1
2020-07-17
An ensemble classifier for vibration-based quality monitoring
Vibration-based quality monitoring of manufactured components often employs pattern recognition methods. Albeit developing several classification methods, they usually provide high accuracy for specific types of datasets, but not for general cases. In this paper, this issue has been addressed by developing a novel ense...
2007.08789v2
2020-07-22
Impact of Li$_{2.9}$B$_{0.9}$S$_{0.1}$O$_{3.1}$ glass additive on the structure and electrical properties of the LATP-based ceramics
The existing solid electrolytes for lithium ion batteries suffer from low total ionic conductivity, which restricts its usefulness for the lithium-ion battery technology. Among them, the NASICON-based materials, such as Li1.3Al0.3Ti1.7(PO4)3 (LATP) exhibit low total ionic conductivity due to highly resistant grain boun...
2007.11244v2
2020-07-23
All-Group IV membrane room-temperature mid-infrared photodetector
Strain engineering has been a ubiquitous paradigm to tailor the electronic band structure and harness the associated new or enhanced fundamental properties in semiconductors. In this regard, semiconductor membranes emerged as a versatile class of nanoscale materials to control lattice strain and engineer complex hetero...
2007.12239v2
2020-07-27
Image-driven discriminative and generative machine learning algorithms for establishing microstructure-processing relationships
We investigate methods of microstructure representation for the purpose of predicting processing condition from microstructure image data. A binary alloy (uranium-molybdenum) that is currently under development as a nuclear fuel was studied for the purpose of developing an improved machine learning approach to image re...
2007.13417v1
2020-07-27
3DMaterialGAN: Learning 3D Shape Representation from Latent Space for Materials Science Applications
In the field of computer vision, unsupervised learning for 2D object generation has advanced rapidly in the past few years. However, 3D object generation has not garnered the same attention or success as its predecessor. To facilitate novel progress at the intersection of computer vision and materials science, we propo...
2007.13887v1
2020-07-28
Defect Induced Room Temperature Ferromagnetism in High Quality Co-doped ZnO Bulk Samples
The nature of the often reported room temperature ferromagnetism in transition metal doped oxides is still a matter of huge debate. Herein we report on room temperature ferromagnetism in high quality Co-doped ZnO (Zn1-xCoxO) bulk samples synthesized via standard solid-state reaction route. Reference paramagnetic Co-dop...
2007.14140v1
2020-07-29
Theory of Crystallization versus Vitrification
The competition between crystallization and vitrification in glass-forming materials manifests as a non-monotonic behavior in the time-temperature transformation (TTT) diagrams, which quantify the time scales for crystallization as a function of temperature. We develop a coarse-grained lattice model, the Arrow-Potts mo...
2007.14968v1
2020-09-04
Efficient Anharmonic Lattice Dynamics Calculations of Thermal Transport in Crystalline and Disordered Solids
Understanding heat transport in semiconductors and insulators is of fundamental importance because of its technological impact in electronics and renewable energy harvesting and conversion. Anharmonic Lattice Dynamics provides a powerful framework for the description of heat transport at the nanoscale. One of the advan...
2009.01967v1
2020-09-10
Direct prediction of phonon density of states with Euclidean neural networks
Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction. The challenge is aggravated in crystalline solids due to crystallographic symme...
2009.05163v2
2020-09-11
Development of data-driven spd tight-binding models of Fe -- parameterisation based on QSGW and DFT calculations including information about higher-order elastic constants
Quantum-mechanical (QM) simulations, thanks to their predictive power, can provide significant insights into the nature and dynamics of defects such as vacancies, dislocations and grain boundaries. These considerations are essential in the context of the development of reliable, inexpensive and environmentally friendly...
2009.05419v1
2020-09-14
Visualization of the strain-induced topological phase transition in a quasi-one-dimensional superconductor TaSe3
Control of the phase transition from topological to normal insulators can allow for an on/off switching of spin current. While topological phase transitions have been realized by elemental substitution in semiconducting alloys, such an approach requires the preparation of materials with various compositions, thus it is...
2009.06353v2
2020-09-14
Suppression of Superconductivity and Nematic Order in Fe$_{1-y}$Se$_{1-x}$S$_x$ (0$\leq$$x$$\leq$1, $y$$\leq$0.1) Crystals by Anion Height Disorder
Connections between crystal chemistry and critical temperature $T_c$ have been in the focus of superconductivity, one of the most widely studied phenomena in physics, chemistry and materials science alike. In most Fe-based superconductors, materials chemistry and physics conspire so that $T_c$ correlates with the avera...
2009.06623v2
2020-09-15
Suppression of acoustic emission during superelastic tensile cycling of polycrystalline Ni$_{50.4}$Ti$_{49.6}$
We investigate acoustic emission (AE) that arises during the martensitic transition in a polycrystalline specimen of the prototypical superelastic/elastocaloric alloy Ni$_{50.4}$Ti$_{49.6}$ (at. %) driven using tensile strain. We use two independent AE sensors in order to locate AE events, and focus on contributions to...
2009.06973v1
2020-09-16
Correlative Synchrotron X-ray Imaging and Diffraction of Directed Energy Deposition Additive Manufacturing
The governing mechanistic behaviour of Directed Energy Deposition Additive Manufacturing (DED-AM) is revealed by a combined in situ and operando synchrotron X-ray imaging and diffraction study of a nickel-base superalloy, IN718. Using a unique process replicator, real-space phase-contrast imaging enables quantification...
2009.07930v1
2020-09-17
Electron ground state $g$ factor in embedded InGaAs quantum dots: An atomistic study
We present atomistic computations within an empirical pseudopotential framework for the electron $s$-shell ground state $g$ tensor of InGaAs quantum dots (QDs) embedded to host matrices that grant electronic confinement. A large structural set consisting of geometry, size, and molar fraction variations is worked out wh...
2009.08055v2
2020-09-24
The influence of surface deformation on thermocapillary flow instabilities in low Prandtl melting pools with surfactants
Heat and fluid flow in low Prandtl number melting pools during laser processing of materials are sensitive to the prescribed boundary conditions, and the responses are highly nonlinear. Previous studies have shown that fluid flow in melt pools with surfactants can be unstable at high Marangoni numbers. In numerical sim...
2009.11700v1
2020-09-25
Performance-based screening of porous materials for carbon capture
Computational screening methods have been accelerating discovery of new materials and deployment of technologies based on them in many areas from batteries and alloys to photovoltaics and separation processes. In this review, we focus on post-combustion carbon capture using adsorption in porous materials. Prompted by u...
2009.12289v2
2020-09-25
Non-thermal transport of energy driven by photoexcited carriers in switchable solid states of GeTe
Phase change alloys have seen widespread use from rewritable optical discs to the present day interest in their use in emerging neuromorphic computing architectures. In spite of this enormous commercial interest, the physics of carriers in these materials is still not fully understood. Here, we describe the time and sp...
2009.12302v1
2020-09-28
Nanoscale transient magnetization gratings excited and probed by femtosecond extreme ultraviolet pulses
We utilize coherent femtosecond extreme ultraviolet (EUV) pulses derived from a free electron laser (FEL) to generate transient periodic magnetization patterns with periods as short as 44 nm. Combining spatially periodic excitation with resonant probing at the dichroic M-edge of cobalt allows us to create and probe tra...
2009.13330v1
2020-09-28
Thermodynamic driving force in the formation of hexagonal-diamond Si and Ge nanowires
The metastable hexagonal-diamond phase of Si and Ge (and of SiGe alloys) displays superior optical properties with respect to the cubic-diamond one. The latter is the most stable and popular one: growing hexagonal-diamond Si or Ge without working at extreme conditions proved not to be trivial. Recently, however, the po...
2009.13630v1
2020-09-30
Effects of Reducing Heat Treatment on the Structural and the Magnetic Properties of Mn:ZnO Ceramics
Polycrystalline bulk Mn:ZnO ceramics with Mn nominal concentrations of 6, 11, 17 and 22 at.% were prepared trough solid-state reaction method and subjected to a heat treatment in reducing atmosphere (Ar (95%) and H2 (5%)). The samples were studied with particular emphasis on their compositions, structural, and magnetic...
2009.14778v1
2020-10-07
Electrical properties of SmB$_6$ thin films prepared by pulsed laser deposition from a stoichiometric SmB$_6$ target
Possible existence of topologically protected surface in samarium hexaboride has created a strong need for investigations allowing to distinguish between properties coming from the surface states and those originating in the (remaining) bulk. Studies of SmB6 thin films represent a favorable approach allowing well defin...
2010.03400v1
2020-10-07
High-throughput techniques for measuring the spin Hall effect
The spin Hall effect in heavy-metal thin films is routinely employed to convert charge currents into transverse spin currents and can be used to exert torque on adjacent ferromagnets. Conversely, the inverse spin Hall effect is frequently used to detect spin currents by charge currents in spintronic devices up to the t...
2010.03543v1
2020-10-12
Understanding photoluminescence in semiconductor Bragg-reflection waveguides: Towards an integrated, GHz-rate telecom photon pair source
Compared to traditional nonlinear optical crystals, like BaB$_2$O$_4$, KTiOPO$_4$ or LiNbO$_3$, semiconductor integrated sources of photon pairs may operate at pump wavelengths much closer to the bandgap of the materials. This is also the case for Bragg-reflection waveguides (BRW) targeting parametric down-conversion (...
2010.05474v1
2020-10-12
Laser Assisted Solution Synthesis of High Performance Graphene Supported Electrocatalysts
Simple, yet versatile, methods to functionalize graphene flakes with metal (oxide) nanoparticles are in demand, particularly for the development of advanced catalysts. Herein, based on light-induced electrochemistry, a laser-assisted, continuous, solution route for the simultaneous reduction and modification of graphen...
2010.05556v1
2020-10-13
Reaching room temperature superconductivity by optimizing doping in LaH$_{10}$?
Intuitively, doping represents one of the most promising avenues for optimization of best prospect superconductors (SC) such as conventional high-pressure SCs with record critical temperatures. However, doping at high pressure (HP) is very challenging, and there is not a proved route to achieve it in a controlled fashi...
2010.06446v1
2020-10-14
Origin of phase stability in Fe with long-period stacking order as an intermediate phase in cyclic $γ$-$ε$ martensitic transformation
A class of Fe-Mn-Si-based alloys exhibits a reversible martensitic transformation between the $\gamma$ phase with a face-centered cubic~(fcc) structure and an $\epsilon$ phase with a hexagonal close-packed (hcp) structure. During the deformation-induced $\gamma$--$\epsilon$ transformation, we identified a phase that is...
2010.07118v4
2020-10-16
Investigation of n-type dilute magnetic semiconductor property observed in amorphous AlNO alloy thin film incorporated with dilute nitrogen at 300K
In the present work, a thin film was deposited on quartz substrate by reactive RF magnetron sputtering of high purity (99.999%) aluminium target using ultra-high pure (Ar + N2) gas mixture. The percentage ratio of Ar and N2 in the gas mixture was 95% and 5%, respectively. Chemical characterization using x-ray photoelec...
2010.08361v1
2020-10-23
Air-stable, earth-abundant molten chlorides and corrosion-resistant containment for chemically-robust, high-temperature thermal energy storage for concentrated solar power
A dramatic reduction in man-made CO2 emissions could be achieved if the cost of electricity generated from concentrated solar power (CSP) plants could become competitive with fossil-fuel-derived electricity. The solar heat-to-electricity conversion efficiency of CSP plants may be significantly increased (and the associ...
2010.12476v1
2020-10-28
Statistical analysis of the material, geometrical and imperfection characteristics of structural stainless steels and members
Traditional member-based two-step design approaches included in current structural codes for steel structures, as well as more recent system-based direct-design alternatives, require building rigorous structural reliability frameworks for the calibration of partial coefficients (resistance factors) to achieve specified...
2010.14777v2
2020-11-04
Spin reorientations and crystal field modification in Ho$_{1-y}$Gd$_y$Al$_2$ compounds
We have performed an experimental and theoretical investigation on the spin reorientation transitions Ho$_{1-y}$Gd$_y$Al$_2$ compounds. Crystallographic, magnetic and calorimetric measurements have been performed for five selected samples in the Ho$_{1-y}$Gd$_y$Al$_2$ series ($y$ = 0, 0.25, 0.5, 0.75 and 1.0). From the...
2011.02571v1
2020-11-10
Inter-diffusion, melting and reaction interplay in Ni/4H-SiC under excimer laser annealing
We investigated the complex interaction between a nickel layer and a 4H-SiC substrate under UV-laser irradiation since the early stages of the atomic inter-diffusion. An exhaustive description is still lacking in the literature. A multimethod approach based on Transmission Electron Microscopy, Energy Dispersive Spectro...
2011.05159v1
2020-11-18
Structure of graphene and a surface carbide grown on the (0001) surface of rhenium
Transition metal surfaces catalyse a broad range of thermally-activated reactions involving carbon-containing-species -- from atomic carbon to small hydrocarbons or organic molecules, and polymers. These reactions yield well-separated phases, for instance graphene and the metal surface, or, on the contrary, alloyed pha...
2011.09171v1
2020-11-18
Optical and electronic properties of symmetric InAs/InGaAlAs/InP quantum dots formed by a ripening process in molecular beam epitaxy: a promising system for broad-range single-photon telecom emitters
We present a detailed experimental optical study supported by theoretical modeling of InAs quantum dots (QDs) embedded in an InAlGaAs barrier lattice-matched to InP(001) grown with the use of a ripening step in molecular beam epitaxy. The method leads to the growth of in-plane symmetric QDs of low surface density, char...
2011.09198v1
2020-11-19
Marangoni Fingering Instabilities in Oxidizing Liquid Metals
Eutectic gallium-indium (EGaIn), a room-temperature liquid metal alloy, has the largest tension of any liquid at room temperature, and yet can nonetheless undergo fingering instabilities. This effect arises because, under an applied voltage, oxides deposit on the surface of the metal, which leads to a lowering of the i...
2011.10016v1
2020-11-19
An in-situ synchrotron diffraction study of stress relaxation in titanium: Effect of temperature and oxygen on cold dwell fatigue
There is a long-standing technological problem in which a stress dwell during cyclic loading at room temperature in Ti causes a significant fatigue life reduction. It is thought that localised time dependent plasticity in soft grains favourably oriented for easy plastic slip leads to load shedding and an increase in st...
2011.10041v1
2020-11-22
Micro-cracking, microstructure and mechanical properties of Hastelloy-X alloy printed by laser powder bed fusion: as-built, annealed and hot-isostatic pressed
This study analyses literature data to identify optimised print parameters and assesses the consolidation, microstructure, and mechanical properties of Hastelloy-X printed by laser powder bed fusion. Effects of post annealing and hot-isostatic pressing (HIP) on the microstructure and mechanical properties are also reve...
2011.11003v1
2020-11-30
Chiral topological superconducting state with Chern number $\mathcal{C} =-2$ in Pb$_3$Bi/Ge(111)
Materials realization of chiral topological superconductivity is a crucial condition for observing and manipulating Majorana fermions in condensed matter physics. Here we develop a tight-binding description of Pb$_3$Bi/Ge(111), identified recently as an appealing candidate system for realizing chiral $p$-wave topologic...
2011.14727v2
2020-12-10
Synergistic effect of shear and ADP on platelet growth on ZTA and Ti6Al4V surfaces
Continuous-flow ventricular assist devices (VADs) have been an increasingly common, life-saving therapy for advanced heart-failure patients, but elevate the risk of thrombosis due to a combination of non-physiological hemodynamics and synthetic biomaterials. Limited work has been done to address platelet adhesion and a...
2012.05827v2
2020-12-11
MICROSCOPE mission analysis, requirements and expected performance
The MICROSCOPE mission aimed to test the Weak Equivalence Principle (WEP) to a precision of $10^{-15}$. The WEP states that two bodies fall at the same rate on a gravitational field independently of their mass or composition. In MICROSCOPE, two masses of different compositions (titanium and platinum alloys) are placed ...
2012.06472v2