publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
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2015-01-13 | Superconductivity in efficient thermoelectric Cu$_3$Sb$_{0.98}$Al$_{0.02}$Se$_4$ | Both superconductivity and thermoelectricity offer promising prospects for
daily energy efficiency applications. The advancements of thermoelectric
materials have led to the huge improvement of the thermoelectric figure of
merit in the past decade. By applying pressure on a highly efficient
thermoelectric material Cu$_... | 1501.03382v1 |
2015-01-29 | Testing Results of the Prototype Beam Absorber for the PXIE MEBT | One of the goals of the PXIE program at Fermilab is to demonstrate the
capability to form an arbitrary bunch pattern from an initially CW 162.5 MHz
H^{-} bunch train coming out of an RFQ. The bunch-by-bunch selection will take
place in the 2.1 MeV Medium Energy Beam Transport (MEBT) by directing the
undesired bunches o... | 1501.07568v1 |
2015-01-31 | Density-functional study of the pure and palladium doped small copper and silver clusters | The size-dependent electronic, structural, magnetic and vibrational
properties of small pure cop- per and silver clusters and their alloys with one
and two palladium atoms are studied by using full-potential all-electron
density functional computations. The stable isomers of these clusters are
identified and their theo... | 1502.00107v1 |
2015-02-03 | Disruption of Thermally-Stable Nanoscale Grain Structures by Strain Localization | Nanocrystalline metals with average grain sizes of only a few nanometers have
recently been observed to fail through the formation of shear bands. Here, we
investigate this phenomenon in nanocrystalline Ni which has had its grain
structure stabilized by doping with W, with a specific focus on understanding
how strain l... | 1502.01052v2 |
2015-02-05 | High power density test of PXIE MEBT absorber prototype | One of the goals of the PXIE program at Fermilab is to demonstrate the
capability to form an arbitrary bunch pattern from an initially CW 162.5 MHz H-
bunch train coming out of an RFQ. The bunch-by-bunch selection will take place
in the 2.1 MeV Medium Energy Beam Transport (MEBT) by directing the undesired
bunches onto... | 1502.01709v1 |
2015-02-06 | Nitrogen-Nitrogen Bonds Violate Stability of N-Doped Graphene | Two-dimensional alloys of carbon and nitrogen represent an urgent interest
due to prospective applications in nanomechanical and optoelectronic devices.
Stability of these chemical structures must be understood as a function of
their composition. The present study employs hybrid density functional theory
and reactive m... | 1502.01939v1 |
2015-02-12 | Hydrodynamic coarsening in phase-separated silicate melts | Using in-situ synchrotron tomography, we investigate the coarsening dynamics
of barium borosilicate melts during phase separation. The 3-D geometry of the
two interconnected phases is determined thanks to image processing. We observe
a linear growth of the size of domains with time, at odds with the sublinear
diffusive... | 1502.03719v1 |
2015-02-19 | Hysteresis in Magnetic Shape Memory Composites: Modeling and Simulation | Magnetic shape memory alloys are characterized by the coupling between a
structural phase transition and magnetic one. This permits to control the shape
change via an external magnetic field, at least in single crystals. Composite
materials with single-crystalline particles embedded in a softer matrix have
been propose... | 1502.05608v2 |
2015-02-20 | Existence of weak solutions for Cahn-Hilliard systems coupled with elasticity and damage | A typical phase field approach for describing phase separation and coarsening
phenomena in alloys is the Cahn-Hilliard model. This model has been generalized
to the so-called Cahn-Larch\'e system by combining it with elasticity to
capture non-neglecting deformation phenomena, which occur during phase
separation and coa... | 1502.05826v1 |
2015-02-20 | Existence of weak solutions for a PDE system describing phase separation and damage processes including inertial effects | In this paper, we consider a coupled PDE system describing phase separation
and damage phenomena in elastically stressed alloys in the presence of inertial
effects. The material is considered on a bounded Lipschitz domain with mixed
boundary conditions for the displacement variable. The main aim of this work is
to esta... | 1502.05861v2 |
2015-02-25 | Superconductivity in the presence of disorder in skutterudite-related La$_3$Co$_4$Sn$_{13}$ and La$_3$Ru$_4$Sn$_{13}$ compounds; electrical transport and magnetic studies | La$_3$Co$_4$Sn$_{13}$ and La$_3$Ru$_4$Sn$_{13}$ were categorized as BCS
superconductors. In a plot of the critical field $H_{c2}$ vs $T$,
La$_3$Ru$_4$Sn$_{13}$ displays a second superconducting phase at the higher
critical temperature $T_c^{\star}$, characteristic of inhomogeneous
superconductors, while La$_3$Co$_4$Sn$... | 1502.07324v1 |
2015-03-15 | Statistical Estimation and Clustering of Group-invariant Orientation Parameters | We treat the problem of estimation of orientation parameters whose values are
invariant to transformations from a spherical symmetry group. Previous work has
shown that any such group-invariant distribution must satisfy a restricted
finite mixture representation, which allows the orientation parameter to be
estimated u... | 1503.04474v2 |
2015-03-16 | Spin-fluctuation mechanism of anomalous temperature dependence of magnetocrystalline anisotropy in itinerant magnets | The origins of the anomalous temperature dependence of magnetocrystalline
anisotropy in (Fe$_{1-x}$Co$_{x}$)$_{2}$B alloys are elucidated using
first-principles calculations within the disordered local moment model.
Excellent agreement with experimental data is obtained. The anomalies are
associated with the changes in... | 1503.04790v2 |
2015-03-17 | Proposal to directly observe the Kondo effect through enhanced photo-induced scattering of cold fermionic and bosonic atoms | We propose an experimental protocol to directly observe the Kondo effect by
scattering ultracold atoms with spin-dependent interactions. We propose using
an optical Feshbach resonance to engineer Kondo-type spin-dependent
interactions in a system with ultracold $^6$Li and $^{87}$Rb gases. We
calculate the momentum tran... | 1503.05234v3 |
2015-03-19 | A new class of chiral materials hosting magnetic skyrmions beyond room temperature | Skyrmions, topologically protected vortex-like nanometric spin textures in
magnets, have been attracting increasing attention for emergent electromagnetic
responses and possible technological applications for spintronics. In
particular, metallic magnets with chiral and cubic/tetragonal crystal structure
may have high p... | 1503.05651v1 |
2015-03-23 | Gate-tunable high mobility remote-doped InSb/In_{1-x}Al_{x}Sb quantum well heterostructures | Gate-tunable high-mobility InSb/In_{1-x}Al_{x}Sb quantum wells (QWs) grown on
GaAs substrates are reported. The QW two-dimensional electron gas (2DEG)
channel mobility in excess of 200,000 cm^{2}/Vs is measured at T=1.8K. In
asymmetrically remote-doped samples with an HfO_{2} gate dielectric formed by
atomic layer depo... | 1503.06710v1 |
2015-03-26 | Bohr's correspondence principle for atomic transport calculations | In this work we perform a comparison between Classical Molecular Static (CMS)
and quantum Density Functional Theory (DFT) calculations in order to obtain the
diffusion coefficients for diluted \emph{Fe-Cr} alloys. We show that, in
accordance with Bohr's correspondence principle, as the size of the atomic cell
(total nu... | 1503.07762v1 |
2015-03-27 | Yield Strength as a Thermodynamic Consequence of Information Erasure | We observe that the yield strength of a variety of materials, including
highly structured and densely packed metals, alloys and semi-crystalline
polymers is reasonably approximated by the thermal energy density of the
material. This suggests that it is related to the entropic cost of the
irreversible work done during p... | 1503.08114v1 |
2015-03-27 | Direct Calculation of Modal Contributions to Thermal Conductivity via Green-Kubo Modal Analysis: Crystalline and Amorphous Silicon | In this letter we derive a new method for direct calculation of the modal
contributions to thermal conductivity, which is termed Green-Kubo modal
analysis (GKMA). The GKMA method combines the lattice dynamics formalism with
the Green-Kubo formula for thermal conductivity, such that the thermal
conductivity becomes a di... | 1503.08178v1 |
2015-04-05 | On the additive manufacturing, post-tensioning and testing of bi-material tensegrity structures | An investigation on the additive manufacturing and the experimental testing
of 3D models of tensegrity prisms and columns is presented. An electron beam
melting facility (Arcam EBM S12) is employed to 3D print structures composed of
tensegrity prisms endowed with rigid bases and temporary supports, which are
made out o... | 1504.01122v1 |
2015-04-06 | On the high-pressure superconducting phase in platinum hydride | Motivated by the ambiguous experimental data for the superconducting phase in
silane (SiH$_{4}$), which may originate from the platinum hydride (PtH), we
provide a theoretical study of the superconducting state in the latter alloy.
The quantitative estimates of the thermodynamics of PtH at 100 GPa are given
for a wide ... | 1504.01349v1 |
2015-04-09 | Study of a MA-loaded cavity for compact synchrotron | The untuned magnetic alloy (MA) loaded cavity will be adopted in the recent
proposed projects based on compact proton and heavy-ion synchrotron in China.
The MA loaded cavity has been operated successfully in many accelerators, but
there is no construction and operation experience in China. The small-size MA
cores with... | 1504.02257v1 |
2015-04-16 | Electron mobility in InxGa1-xN channel HEMTs | In this letter, we report on the theoretical investigations of electron
mobility in practically viable designs of InxGa1-xN channel high electron
mobility transistors (HEMT). Carriers in such devices are expected to exhibit a
higher velocity and hence higher cut-off frequencies (fT) for highly scaled
architectures. We ... | 1504.04336v1 |
2015-04-21 | Performance Boost in Industrial Multifilamentary Nb3Sn Wires due to Radiation Induced Pinning Centers | We report non-Cu critical current densities of 4.09 * 10^9 A/m^2 at 12 T and
2.27 * 10^9 A/m^2 at 15 T obtained from transport measurements on a Ti-alloyed
RRP Nb3Sn wire after irradiation to a fast neutron fluence of 8.9 * 10^21 m^-2.
These values are to our knowledge unprecedented in multifilamentary Nb3Sn, and
they ... | 1504.05366v1 |
2015-05-10 | The progress of neutron texture diffractometer at China Advanced Research Reactor | The first neutron texture diffractometer in China has been built at China
Advanced Research Reactor due to the strong demands of texture measurement with
neutrons from domestic user community. This neutron texture diffractometer has
high neutron intensity, moderate resolution and is mainly applied to study the
texture ... | 1505.02382v1 |
2015-05-18 | Unique opportunity to harness polarization in GaN to override the conventional power electronics figure-of-merits | Owing to the large breakdown electric field, wide bandgap semiconductors such
as SiC, GaN, Ga2O3 and diamond based power devices are the focus for next
generation power switching applications. The unipolar trade-off relationship
between the area specific-on resistance and breakdown voltage is often employed
to compare ... | 1505.04651v1 |
2015-05-21 | Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials | Knowledge of mechanical and physical property evolution due to irradiation
damage is essential for the development of future fission and fusion reactors.
Ion-irradiation provides an excellent proxy for studying irradiation damage,
allowing high damage doses without sample activation. Limited
ion-penetration-depth means... | 1505.05902v1 |
2015-05-21 | Grain boundary character distributions in nanocrystalline metals produced by different processing routes | Nanocrystalline materials are defined by their fine grain size, but details
of the grain boundary character distribution should also be important. Grain
boundary character distributions are reported for ball milled, sputter
deposited, and electrodeposited Ni and Ni-based alloys, all with average grain
sizes of ~20 nm, ... | 1505.05904v2 |
2015-05-22 | Direct Method for Calculating Temperature-Dependent Transport Properties | We show how temperature-induced disorder can be combined in a direct way with
first-principles scattering theory to study diffusive transport in real
materials. Excellent (good) agreement with experiment is found for the
resistivity of Cu, Pd, Pt (and Fe) when lattice (and spin) disorder are
calculated from first princ... | 1505.06231v1 |
2015-06-04 | Exploring the feasibility of Fe(Se,Te) conductors by ex-situ Powder-in-Tube method | In this work, the feasibility condition of Powder-In-Tube (PIT) processed
wires of Fe(Se,Te) superconductor has been investigated. We faced several
technical issues that are extensively described and discussed. In particular,
we tested different metals and alloys as external sheaths (Cu, Ag, Nb, Ta, Ni,
Fe, cupronickel... | 1506.01630v1 |
2015-06-04 | Massively Parallel Phase-Field Simulations for Ternary Eutectic Directional Solidification | Microstructures forming during ternary eutectic directional solidification
processes have significant influence on the macroscopic mechanical properties
of metal alloys. For a realistic simulation, we use the well established
thermodynamically consistent phase-field method and improve it with a new grand
potential form... | 1506.01684v1 |
2015-06-08 | A Theoretical Examination of Diffusive Molecular Dynamics | Diffusive molecular dynamics is a novel model for materials with atomistic
resolution that can reach diffusive time scales. The main ideas of diffusive
molecular dynamics are to first minimize an approximate variational Gaussian
free energy of the system with respect to the mean atomic coordinates
(averaging over many ... | 1506.02569v1 |
2015-06-10 | Complex structures in the Au-Cd alloy system: Hume-Rothery mechanism as origin | The binary (simple metal) phase diagram Au-Cd contains a number of
intermetallic compounds with various distortions, superlattices and vacancies.
To understand the reasons of these structural complexities and their phase
stability, we analyze these crystal structures within the nearly free-electron
model in the frame o... | 1506.03189v1 |
2015-06-10 | The magnetic ground state properties of non-centrosymmetric CePt$_3$B$_{1-x}$Si$_x$ | We present a study of the alloying series of the non-centrosymmetric
$f$-electron intermetallic CePt$_3$B$_{1-x}$Si$_x$ by means of muon spin
rotation and relaxation measurements. In addition, we include a high pressure
magnetization investigation of the stoichiometric parent compound CePt$_3$B.
From our data we establ... | 1506.03419v1 |
2015-06-19 | Direct Measure of Giant Magnetocaloric Entropy Contributions in Ni-Mn-In | Off-stoichiometric alloys based on Ni 2 MnIn have drawn attention due to the
coupled first order magnetic and structural transformations, and the large
magnetocaloric entropy associated with the transformations. Here we describe
calorimetric and magnetic studies of four compositions. The results provide a
direct measur... | 1506.06168v2 |
2015-06-23 | Coherent Cancellation of Photothermal Noise in GaAs/Al$_{0.92}$Ga$_{0.08}$As Bragg Mirrors | Thermal noise is a limiting factor in many high-precision optical
experiments. A search is underway for novel optical materials with reduced
thermal noise. One such pair of materials, gallium arsenide and
aluminum-alloyed gallium arsenide (collectively referred to as AlGaAs), shows
promise for its low Brownian noise wh... | 1506.07088v2 |
2015-06-28 | Anomalous Threshold Reduction from <100> Uniaxial Strain for a Low-Threshold Ge Laser | We theoretically investigate the effect of <100> uniaxial strain on a
Ge-on-Si laser using deformation potentials. We predict a sudden and dramatic
~200x threshold reduction upon applying sufficient uniaxial tensile strain to
the Ge gain medium. This anomalous reduction is accompanied by an abrupt jump
in the emission ... | 1506.08403v1 |
2015-06-29 | Segregation-induced phase transformations in grain boundaries | Phase transformations in metallic grain boundaries (GBs) present significant
fundamental interest in the context of thermodynamics of low-dimensional
physical systems. We report on atomistic computer simulations of the Cu-Ag
system that provide direct evidence that GB phase transformations in a
single-component GB can ... | 1506.08882v1 |
2015-06-30 | Nematicity, magnetic fluctuation and ferro-spin-orbital ordering in BaFe$_2$As$_2$ family | Through detailed electronic structure simulations we show that the electronic
orbital ordering (between d$_{yz}$ and d$_{xz}$ bands) takes place due to local
breaking of in-plane symmetry that generates two non-equivalent $a$, $b$
directions in 122 family of Fe-based superconductors. Orbital ordering is
strongly anisot... | 1506.08948v2 |
2015-07-04 | Verification of a binary fluid solidification model in the finite-volume flow solver | The aim of this paper is to verify the new numerical implementation of a
binary fluid, heat conduction dominated solidification model. First, we extend
a semi-analytical solution to the heat diffusion equation, next, the range of
its applicability is investigated. It was found that the linearization
introduced to the h... | 1507.01131v1 |
2015-07-07 | Chemical modification of silicene | Silicene is a two-dimensional material, which is composed of a single layer
of silicon atoms with sp2-sp3 mixed hybridization. The sp2-sp3 mixed
hybridization renders silicene excellent reactive ability, facilitating the
chemical modification of silicene. It has been demonstrated that chemical
modification effectively ... | 1507.01658v1 |
2015-07-15 | Role of crystal structure and junction morphology on interface thermal conductance | We argue that the relative thermal conductance between interfaces with
different morphologies is controlled by crystal structure through $M_{min}/M_c
> 1$, the ratio between the {\it minimum mode} count on either side $M_{min}$,
and the {\it conserving modes} $M_c$ that preserve phonon momentum transverse
to the interf... | 1507.04322v1 |
2015-07-16 | Low volume-fraction microstructures in martensites and crystal plasticity | We study microstructure formation in two nonconvex singularly-perturbed
variational problems from materials science, one modeling austenite-martensite
interfaces in shape-memory alloys, the other one slip structures in the plastic
deformation of crystals. For both functionals we determine the scaling of the
optimal ene... | 1507.04521v1 |
2015-07-16 | Evaluation of the spin diffusion length of AuW alloy by spin absorption experiments in the limit of large spin-orbit interactions | The knowledge of the spin diffusion length $\lambda_{A}$ is a prerequisite
for the estimation of the spin Hall angle. We investigate spin current
absorption of materials with small $\lambda_{A}$ using AuW stripes inserted in
lateral spin-valves. Width variations of the AuW stripe lead to drastic changes
of the spin abs... | 1507.04567v2 |
2015-07-16 | Strong Linear Dichroism in Spin-Polarized Photoemission from Spin-Orbit-Coupled Surface States | A comprehensive understanding of spin-polarized photoemission is crucial for
accessing the electronic structure of spin-orbit coupled materials. Yet, the
impact of the final state in the photoemission process on the photoelectron
spin has been difficult to assess in these systems. We present experiments for
the spin-or... | 1507.04664v2 |
2015-07-18 | Addressing the Challenges of Using Ferromagnetic Electrodes in the Molecular Spintronics Devices | Ferromagnetic electrodes chemically bonded with thiol functionalized
molecules can produce novel molecular spintronics devices. However, major
challenges lie in developing Ferromagnetic electrodes based commercially viable
device fabrication scheme that consider the susceptibility of ferromagnetic
electrodes to oxidati... | 1507.05146v1 |
2015-07-19 | Influence of electric field on the Eu+3 photolumiscence in lead-free ferroelectric Na1/2Bi1/2TiO3 | Eu modified Na1/2Bi1/2TiO3 (NBT) was investigated for electric-field induced
Eu+3 photoluminescence (PL) and structural changes. Detailed analysis revealed
that below a critical Eu composition electric field irreversibly suppresses the
structural heterogeneity inherent of the host matrix NBT and brings about a
long ran... | 1507.05288v1 |
2015-07-23 | Novel thermal effects across first order magnetic transition in Ta doped $HfFe_2$ intermetallic | Novel thermal effects across the first order antiferromagnetic (AFM) -
ferromagnetic (FM) transition in an intermetallic alloy are reported. They show
instances of warming when heat is extracted from the sample, and cooling when
heat is provided to the sample across AFM-FM transition in Ta doped $HfFe_2$,
thus providin... | 1507.06434v2 |
2015-07-24 | Adding Partial Functions to Constraint Logic Programming with Sets | Partial functions are common abstractions in formal specification notations
such as Z, B and Alloy. Conversely, executable programming languages usually
provide little or no support for them. In this paper we propose to add partial
functions as a primitive feature to a Constraint Logic Programming (CLP)
language, namel... | 1507.06852v1 |
2015-07-28 | Reproducible domain wall pinning by linear non-topographic features in a ferromagnetic nanowire | We demonstrate that for multilayered magnetic nanowires, where the thickness
and composition of the individual layers has been carefully chosen, domain
walls can be pinned at non-topographic sites created purely by ion irradiation
in a focused ion beam system. The pinning results from irradiation induced
alloying leadi... | 1507.07847v1 |
2015-07-31 | Lattice vibrations boost demagnetization entropy in shape memory alloy | Magnetocaloric (MC) materials present an avenue for chemical-free, solid
state refrigeration through cooling via adiabatic demagnetization. We have used
inelastic neutron scattering to measure the lattice dynamics in the MC material
Ni45Co5Mn36.6In13.4. Upon heating across the Curie Temperature (TC), the
material exhib... | 1507.08933v4 |
2015-08-04 | Tailoring superelasticity of soft magnetic materials | Embedding magnetic colloidal particles in an elastic polymer matrix leads to
smart soft materials that can reversibly be addressed from outside by external
magnetic fields. We discover a pronounced nonlinear superelastic stress-strain
behavior of such materials using numerical simulations. This behavior results
from a ... | 1508.00770v2 |
2015-06-03 | Stable room-temperature ferromagnetic phase at the FeRh(100) surface | Interfaces and low dimensionality are sources of strong modifications of
electronic, structural, and magnetic properties of materials. FeRh alloys are
an excellent example because of the first-order phase transition taking place
at $\sim$400 K from an antiferromagnetic phase at room temperature to a high
temperature fe... | 1508.01777v1 |
2015-08-17 | Segregation-induced changes in grain boundary cohesion and embrittlement in binary alloys | Grain boundary embrittlement occurs when a solute enriches at a grain
boundary and lowers its cohesive energy. While grain boundary enrichment is
often attributed to equilibrium segregation effects, most models of
embrittlement consider either the energetics of decohesion or the equilibrium
adsorption at the boundary, ... | 1508.04058v1 |
2015-08-18 | Interface dynamics of a metastable mass-conserving spatially extended diffusion | We study the metastable dynamics of a discretised version of the
mass-conserving stochastic Allen-Cahn equation. Consider a periodic
one-dimensional lattice with $N$ sites, and attach to each site a real-valued
variable, which can be interpreted as a spin, as the concentration of one type
of metal in an alloy, or as a ... | 1508.04247v1 |
2015-08-19 | New type of stable particle like states in chiral magnets (Chiral bobbers) | We present a new type of a thermodynamically stable magnetic state at
interfaces and surfaces of chiral magnets. The state is a soliton solution of
micromagnetic equations localized in all three dimensions near a boundary and
contains a singularity, but nevertheless has a finite energy. Both features
combine to a quasi... | 1508.04786v1 |
2015-08-24 | Evidence of field induced inter-ferroelectric transformation as the dominant driving mechanism for anomalous piezoresponse in the morphotropic phase boundary piezoelectric system PbTiO3-BiScO3 | The contributory mechanisms associated with high piezoelectric response in
piezoelectric ceramics have been examined by in-situ electric field dependent
high energy synchro x-ray diffraction study. A comparative study of electric
field induced lattice strain and the propensity for non-180o domain switching
on two close... | 1508.05734v1 |
2015-08-31 | Reconstruction of nuclear quadrupole interaction in (In,Ga)As/GaAs quantum dots observed by transmission electron microscopy | A microscopic study of the individual annealed (In,Ga)As/GaAs quantum dots is
done by means of high-resolution transmission electron microscopy. The
Cauchy-Green strain-tensor component distribution and the chemical composition
of the (In,Ga)As alloy are extracted from the microscopy images. The image
processing allows... | 1508.07957v1 |
2015-09-01 | First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides | High-throughput ab-initio calculations, cluster expansion techniques and
thermodynamic modeling have been synergistically combined to characterize the
binodal and the spinodal decompositions features in the pseudo-binary lead
chalcogenides PbSe-PbTe, PbS-PbTe, and PbS-PbSe. While our results agree with
the available ex... | 1509.00502v1 |
2015-09-05 | Surfactant Antimony enhanced Indium incorporation on InGaN (000-1) surface: a DFT study | InGaN is an ideal alloy system for optoelectronic devices due its tunable
band gap. Yet high-quality InGaN requires high In concentration, which is a
challenging issue that limits its use in green-light LEDs and other devices. In
this paper, we investigated the surfactant effect of Sb on the In incorporation
on InGaN (... | 1509.01689v2 |
2015-09-11 | Change of the charge modulation during superconducting transition in SmFeAsO(0.91)F(0.09) seen by 57Fe Mössbauer spectroscopy | Iron-based superconductor SmFeAsO(0.91)F(0.09) has been investigated by the
57Fe Moessbauer spectroscopy versus temperature with the special attention paid
to the region of the superconducting transition at about 47 K. Modulation of
the electron charge density was found. It leads to the development of the
charge densit... | 1509.03451v3 |
2015-09-14 | From soft to hard magnetic Fe-Co-B by spontaneous strain: A combined first principle and thin film study | In order to convert the well-known Fe-Co-B alloy from a soft to a hard
magnet, we propose tetragonal strain by interstitial boron. Density functional
theory reveals that when B atoms occupy octahedral interstitial sites, the bcc
Fe-Co lattice is strained spontaneously. Such highly distorted Fe-Co is
predicted to reach ... | 1509.04126v1 |
2015-09-17 | Microwave Loss Reduction in Cryogenically Cooled Conductors | Measurements of microwave attenuation at room temperature and 4.2 K have been
performed on some conductors commonly used in receiver input circuits. The
reduction in loss on cooling is substantial, particularly for copper and plated
gold, both of which showed a factor of 3 loss reduction. Copper passivated with
benzotr... | 1509.05273v1 |
2015-09-21 | Induced effects by the substitution of Zn in Cu2ZnSnX4 (X = S and Se) | Based on the density functional theory with hybrid functional approach, we
have studied the structural and thermodynamic stabilities of Cu2MSnX4 (M = Zn,
Mg, and Ca; X = S and Se) alloy, and have further investigated the electronic
and optical properties of stable Cu2MgSnS4 and Cu2MgSnSe4 phases. Thermal
stability anal... | 1509.06230v2 |
2015-10-01 | CuAlTe$_2$: A promising bulk thermoelectric material | Transport properties of Cu-based chalcopyrite materials are presented using
the full potential linear augmented plane wave method and Boltzmann
Semi-classical theory. All the studied compounds appear to be direct band gap
semiconductors evaluated based on the Tran-Blaha modified Becke-Johnson
potential. The heavy and l... | 1510.00231v1 |
2015-10-09 | Dynamic reconstruction for atom probe tomography | Progress in the reconstruction for atom probe tomography has been limited
since the first implementation of the protocol proposed by Bas et al. in 1995.
This approach, and those subsequently developed, assume that the geometric
parameters used to build the three-dimensional atom map are constant over the
course of an a... | 1510.02849v1 |
2015-10-10 | Some aspects of the field evaporation behaviour of GaSb | In-depth analysis of pulsed laser atom probe tomography (APT) data on the
field evaporation of the III V semiconductor material GaSb reveals strong
variations in charge states, relative abundances of different cluster ions,
multiplicity of detector events and spatial correlation of evaporation events,
as a function of ... | 1510.02909v1 |
2015-10-10 | The CeMIn5 (M = Rh, Ir and Co) System and the Single Energy Scale Model of Metamagnetism | For a decade and a half, CeCoIn$_5$ and related alloys have served as a rich
playground to explore the interplay between magnetism and unconventional
superconductivity. Despite this extended study, the presence/absence of
metamagnetism (MM) in this ternary system remains as an unresolved issue. Here
we show that the li... | 1510.02991v1 |
2015-10-15 | NEMO5: Achieving High-end Internode Communication for Performance Projection Beyond Moore's Law | Electronic performance predictions of modern nanotransistors require
nonequilibrium Green's functions including incoherent scattering on phonons as
well as inclusion of random alloy disorder and surface roughness effects. The
solution of all these effects is numerically extremely expensive and has to be
done on the wor... | 1510.04686v1 |
2015-10-23 | In-situ high-pressure Raman scattering studies in PbWO4 up to 48 GPa | The effect of pressure on the Raman spectrum of PbWO4 has been investigated
up to 48 GPa in a diamond-anvil cell using neon as pressure-transmitting
medium. Changes are detected in the Raman spectrum at 6.8 GPa as a consequence
of a structural phase transition from the tetragonal scheelite structure to the
monoclinic P... | 1510.06842v1 |
2015-10-26 | Spatial evolution of the ferromagnetic phase transition in an exchange graded film | A combination of experiments and numerical modeling was used to study the
spatial evolution of the ferromagnetic phase transition in a thin film
engineered to have a smooth gradient in exchange strength. Mean-field
simulations predict, and experiments confirm that a 100 nm Ni[x]Cu[1-x] alloy
film with Ni concentration ... | 1510.07535v1 |
2015-10-30 | Efficient implicit integration for finite-strain viscoplasticity with a nested multiplicative split | An efficient and reliable stress computation algorithm is presented, which is
based on implicit integration of the local evolution equations of
multiplicative finite-strain plasticity/viscoplasticity. The algorithm is
illustrated by an example involving a combined nonlinear isotropic/kinematic
hardening; numerous backs... | 1510.09163v2 |
2015-10-30 | Impact of Extreme Electrical Fields on Charge Density Distributions in Alloys | The purpose of this work is to identify the field evaporation mechanism
associated with charge density distribution under extreme fields, linking atom
probe tomography (APT) experiments with density functional theory (DFT)
modeling. DFT is used to model a materials surface bonding, which affects the
evaporation field o... | 1510.09220v1 |
2015-11-01 | Reciprocal spin Hall effects in conductors with strong spin-orbit coupling: a review | Spin Hall effect and its inverse provide essential means to convert charge to
spin currents and vice versa, which serve as a primary function for spintronic
phenomena such as the spin-torque ferromagnetic resonance and the spin Seebeck
effect. These effects can oscillate magnetization or detect a thermally
generated sp... | 1511.00332v1 |
2015-11-11 | Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids | Using molecular dynamics simulations, we have studied the atomic correlations
characterizing the second peak in the radial distribution function (RDF) of
metallic glasses and liquids. The analysis was conducted from the perspective
of different connection schemes of atomic packing motifs, based on the number
of shared ... | 1511.03707v1 |
2015-11-13 | Modeling Disordered Materials with a High Throughput ab-initio Approach | Predicting material properties of disordered systems remains a long-standing
and formidable challenge in rational materials design. To address this issue,
we introduce an automated software framework capable of modeling partial
occupation within disordered materials using a high-throughput (HT) first
principles approac... | 1511.04373v1 |
2015-12-04 | Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates | We present a first-principles study of the cross-plane thermal conductivity
$\kappa_{\perp}$ in a wide variety of semiconductor thin films. We introduce a
simple suppression model that matches variance-reduced Monte Carlo simulations
with ab-initio phonon dispersions and scattering rates within $\leq 5\%$ even
for anis... | 1512.01354v3 |
2015-12-07 | First principles investigation of structural, electronic and optical properties of MgRh intermetallic compound | The structural electronic and optical properties of intermetallic compound
MgRh were investigated by using the ab-initio technique from CASTEP code. In
this study we have carried out the pseudo-potential plane-wave (PP-PW) method
based on the density functional theory (DFT), within the generalized gradient
approximatio... | 1512.02118v1 |
2015-12-08 | Development of magnetic liquid metal suspensions for magnetohydrodynamics | A new class of materials is developed that is a liquid with both high
conductivity and magnetic susceptibility for magnetohydrodynamic (MHD)
applications. We develop a general method for making such suspensions and
demonstrate that various magnetic and non-magnetic metal particles, from 40 nm
- 500 microns in diameter,... | 1512.02575v4 |
2015-12-12 | Complex dielectric and impedance behavior of magnetoelectric Fe2TiO5 | We have investigated the complex dielectric and impedance properties of
magnetoelectric compound Fe2TiO5 (FTO) as a function of temperature (T) and
frequency (f) to understand the grain (G) and grain boundary (Gb) contributions
to its dielectric response. The temperature and frequency dependent dielectric
permittivity ... | 1512.03889v1 |
2015-12-21 | Phase diagram and polarization of stable phases of (Ga$_{1-x}$In$_x$)$_2$O$_3$ | Using density-functional ab initio calculations, we provide a revised phase
diagram of (Ga$_{1-x}$In$_{x})_2$O$_3$. Three phases --monoclinic, hexagonal,
cubic bixbyite-- compete for the ground state. In particular, in the
$x$$\sim$0.5 region we expect coexistence of hexagonal, $\beta$, and bixbyite
(the latter separat... | 1512.06570v1 |
2015-12-22 | Deformation concentration for martensitic microstructures in the limit of low volume fraction | We consider a singularly-perturbed nonconvex energy functional which arises
in the study of microstructures in shape memory alloys. The scaling law for the
minimal energy predicts a transition from a parameter regime in which uniform
structures are favored, to a regime in which the formation of fine patterns is
expecte... | 1512.07023v1 |
2015-12-24 | Theoretical study of the elastic and thermodynamic properties of Pt$_{3}$Al with the L1$_{2}$ structure under high pressure | In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under
high pressure are investigated using density functional theory within the
generalized gradient approximation. The results of bulk modulus and elastic
constants at zero pressure are in good agreement with the available theoretical
and experimenta... | 1512.07791v1 |
2016-01-13 | Prediction of giant mechanocaloric effects in fluorite-structured superionic materials | Mechanocaloric materials experience a change in temperature when a mechanical
stress is adiabatically applied on them. Thus far, only ferroelectrics and
superelastic metallic alloys have been considered as potential mechanocaloric
compounds to be exploited in solid-state cooling applications. Here we show
that giant me... | 1601.03376v1 |
2016-01-14 | Intertwined Rashba, Dirac and Weyl Fermions in Hexagonal Hyperferroelectrics | By means of density functional theory based calculations, we study the role
of spin-orbit coupling in the new family of ABC hyperferroelectrics [Phys. Rev.
Lett. 112, 127601 (2014)]. We unveil an extremely rich physics strongly linked
to ferroelectric properties, ranging from the electric control of bulk Rashba
effect ... | 1601.03643v1 |
2016-01-22 | Numerical simulation of InGaN Schottky solar cell | The Indium Gallium Nitride (InGaN) III-Nitride ternary alloy has the
potentiality to allow achieving high efficiency solar cells through the tuning
of its band gap by changing the Indium composition. It also counts among its
advantages a relatively low effective mass, high carriers\^a mobility, a high
absorption coeffi... | 1601.05951v1 |
2016-02-09 | The symmetry-adapted configurational ensemble approach to the computer simulation of site-disordered solids | Site-occupancy disorder, defined as the non-periodic occupation of lattice
sites in a crystal structure, is a ubiquitous phenomenon in solid-state physics
and chemistry. Examples are mineral solid solutions, synthetic
non-stoichiometric compounds and metal alloys. The experimental investigation
of these materials using... | 1602.02937v1 |
2015-01-13 | Towards Security of Additive Layer Manufacturing | Additive Layer Manufacturing (ALM), also broadly known as 3D printing, is a
new technology to produce 3D objects. As an opposite approach to the
conventional subtractive manufacturing process, 3D objects are created by
adding thin material layers over layers. Until recently, they have been used,
mainly, for plastic mod... | 1602.07536v1 |
2016-02-25 | Point contact tunnelling spectroscopy of the density of states in Tb-Mg-Zn quasicrystals | According to theoretical predictions the quasicrystalline (QC) electronic
density of states (DOS) must have a rich and fine spiky structure which
actually has resulted elusive. The problem with its absence may be related to
poor structural characteristics of the studied specimens, and/or to the
non-existence of this sp... | 1602.07771v1 |
2016-02-25 | Study of the ultrafast dynamics of ferromagnetic materials with a Quantum Monte Carlo atomistic model | We study of the ultrafast dynamics of the atomic angular momentum in
ferrimagnets irradiated by laser pulses. My apply a quantum atomistic spin
approach based on the Monte Carlo technique. Our model describes the coherent
transfer of angular momentum between the spin and the orbital momentum as well
as the quenching of... | 1602.07950v1 |
2016-04-06 | High-Tc Superconductivity: Strong Indication of Filamentary-Chaotic Conductance and Possible Routes to Superconductivity Above Room Temperature | The empirical relation of T_co(K)=2740/<q>_c^4 between the transition
temperature of optimum doped superconductors T_co and the mean cationic charge
<q>_c, a physical paradox, can be recast to strongly support fractal theories
of high-T_c superconductors, thereby applying the finding that the optimum hole
concentration... | 1604.01623v1 |
2016-04-10 | Temperature dependence of elastocaloric effect in natural rubber | The temperature dependence of the elastocaloric (eC) effect in natural rubber
(NR) is studied adiabatically and isothermally. A broad temperature span for eC
effect from 0 oC to 49 oC is observed. The maximum adiabatic temperature change
({\Delta}T) is 12 K at strain of 6 and occurs at 10 oC. These behaviors can be
pre... | 1604.02686v2 |
2016-04-11 | Interatomic Fe-H potential for irradiation and embrittlement simulations | The behavior of hydrogen in iron and iron alloys is of interest in many
fields of physics and materials science. To enable large-scale molecular
dynamics simulations of systems with Fe-H interactions, we develop, based on
density-functional theory calculations, an interatomic Fe-H potential in the
Tersoff-Brenner forma... | 1604.02829v1 |
2016-04-12 | Sustained phase separation and spin glass in Co-doped K$_{x}$Fe$_{2-y}$Se$_{2}$ single crystals | We present Co substitution effects in K$_{x}$Fe$_{2-y-z}$Co$_{z}$Se$_{2}$
(0.06 $\leq$ $z$ $\leq$ 1.73) single crystal alloys. By 3.5\% of Co doping
superconductivity is suppressed whereas phase separation of semiconducting
K$_{2}$Fe$_{4}$Se$_{5}$ and superconducting/metallic K$_{x}$Fe$_{2}$Se$_{2}$ is
still present. W... | 1604.03545v1 |
2016-04-14 | Stable artificial solid electrolyte interfaces for lithium batteries | A rechargeable lithium metal battery (LMB), which uses metallic lithium at
the anode, is among the most promising technologies for next generation
electrochemical energy storage devices due to its high energy density,
particularly when Li is paired with energetic conversion cathodes such as
sulfur, oxygen/air, and carb... | 1604.04200v1 |
2016-04-19 | Fabrication of FeSi and Fe3Si compounds by electron beam induced mixing of [Fe/Si]2 and [Fe3/Si]2 multilayers grown by focused electron beam induced deposition | Fe-Si binary compounds have been fabricated by focused electron beam induced
deposition by the alternating use of iron pentacarbonyl, Fe(CO)5, and
neopentasilane, Si5H12 as precursor gases. The fabrication procedure consisted
in preparing multilayer structures which were treated by low-energy electron
irradiation and a... | 1604.05536v1 |
2016-04-19 | Insulating and metallic spin glass in K$_{x}$Fe$_{2-δ-y}$Ni$_{y}$Se$_{2}$ (0.06 $\leq$ $y$ $\leq$ 1.44) single crystals | We report electron doping effects by Ni in
K$_{x}$Fe$_{2-\delta-y}$Ni$_{y}$Se$_{2}$ (0.06 $\leq$ $y$ $\leq$ 1.44) single
crystal alloys. A rich ground state phase diagram is observed. Small amount of
Ni ($\sim$ 4\%) suppressed superconductivity below 1.8 K, inducing insulating
spin glass magnetic ground state for highe... | 1604.05713v1 |
2016-05-03 | Individual electron and hole localization in submonolayer InN quantum sheets embedded in GaN | We investigate sub-monolayer InN quantum sheets embedded in GaN(0001) by
temperature-dependent photoluminescence spectroscopy under both continuous-wave
and pulsed excitation. Both the peak energy and the linewidth of the emission
band associated with the quantum sheets exhibit an anomalous dependence on
temperature in... | 1605.00865v2 |
2016-05-05 | Superconductivity in multiple phases of compressed GeSb2Te4 | Here we report the discovery of superconductivity in multiple phases of the
compressed GeSb2Te4 (GST) phase change memory alloy, which has attracted
considerable attention for the last decade due to its unusual physical
properties with many potential applications. Superconductivity is observed
through electrical transp... | 1605.01757v1 |
2016-05-09 | Heterogeneous nucleation on a surface with heterogeneous surface energy | In the standard treatment of heterogeneous nucleation on a surface, the
energy of the surface is assumed to be homogeneous. Often its value is obtained
from some macroscopic measurement. We ask the question what happens if we
consider the surface energy to be heterogeneous. This is a straightforward
generalization and ... | 1605.02670v1 |
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