Searcharxiv⌕ Search

SEARCH · Searcharxiv

Results for “cond-mat.mtrl-sci”

Search indexed arXiv papers on artificial intelligence, large language models, computer vision and robotics. Read source abstracts and follow links to arXiv.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2Linked to original sources

Crystallization of the Wahnström Binary Lennard-Jones Liquid

We report observation of crystallization of the glass-forming binary Lennard-Jones liquid first used by Wahnström [G. Wahnström, Phys. Rev. A 44, 3752 (1991)]. Molecular dynamics simulations of the metastable liquid on a timescale of microseconds were performed. The liquid crystallized spontaneously. The crystal structure was identified as MgZn_2. Formation of transient crystallites is observed in the liquid. The crystallization is investigate at different temperatures and compositions. At high temperature the rate of crystallite formation is the limiting factor, while at low temperature the limiting factor is growth rate. The melting temperature of the crystal is estimated to be T_m=0.93 at rho=0.82. The maximum crystallization rate of the A_2B composition is T=0.60+/-0.02.

cond-mat.mtrl-sci↗

Material-Point Simulation to Cavity Collapse Under Shock

The collapse of cavities under shock is a key problem in various fields ranging from erosion of material, ignition of explosive, to sonoluminescence, etc. We study such processes using the material-point-method developed recently in the field of solid physics. The main points of the research include the relations between symmetry of collapsing and the strength of shock, other coexisting interfaces, as well as hydrodynamic and thermal-dynamic behaviors ignored by the pure fluid models. In the case with strong shock, we study the procedure of jet creation in the cavity; in the case with weak shock, we found that the cavity can not be collapsed completely by the shock and the cavity may collapse in a nearly isotropic way. The history of collapsing significantly influences the distribution of "hot spots" in the shocked material. The change in symmetry of collapsing is investigated. Since we use the Mie-Gr% üneisen equation of state and the effects of strain rate are not taken into account, the behavior is the same if one magnifies the spatial and temporal scales in the same way.

cond-mat.mtrl-sci↗

Self-organized surface nanopatterning by ion beam sputtering

The production of nanopatterns on the surfaces of targets irradiated by ion beams at low and intermediate energies has developed during the present decade to a salient degree of control over the main pattern features. However, there is still a wide experimental scatter in the type and relevance of various dynamic interfacial properties induced by this technique as a function of system type and parameters. In parallel, diverse theoretical models exist that differ in their capabilities to reproduce such a wide range of experimental features. We provide an overview of the most recent studies of nanoripple and dot production by ion-beam sputtering, with special attention to the comparison between experiments and (continuum) models, and with a focus on those issues that remain open or, at least, ambiguous. These are perhaps more evident for the case of nanodot patterns on amorphizable targets than for the case of nanoripples due, possibly, to the relative novelty of the former. The pattern properties to be considered are those of potential increased technological importance, such as the variation of nanodot size with parameters like ion energy, target temperature and sputtering time (i.e., fluence), as well as the conditions under which the quality of the pattern order is enhanced, issues such as wavelength coarsening and order enhancement becoming relevant.

cond-mat.mtrl-sci↗

Elastoplastic model for the dynamics of solid-solid transformations : role of non-affine deformation in microstructure selection

We study the nucleation dynamics of a model solid state transformation and the criterion for microstructure selection using a molecular dynamics (MD) simulation. Our simulations show a range of microstructures depending on the depth of quench. We closely follow the dynamics of the solid and find that transient {\em non-affine zones} (NAZ) are created at and evolve with the rapidly moving transformation front. The dynamics of these plastic regions determines the selection of microstructure. We formulate an {\it elastoplastic model} which couples the elastic strain to the non-affine deformation, and recover all the qualitative features of the MD simulation. Using this model, we construct a dynamical phase diagram for microstructure selection, in addition to making definite testable predictions.

cond-mat.mtrl-sci↗

The current spin on manganites

In a material, the existence and coexistence of phases with very different magnetic and electronic properties is both unusual and surprising. Manganites in particular capture the imagination because they demonstrate a complexity that belies their chemically single-phase nature. This complexity arises because the magnetic, electronic and crystal structures interact with one another to deliver exotic magnetic and electronic phases that coexist. This coexistence is self-organized and yet readily susceptible to external perturbations, permitting subtle and imaginative experiments of the type that we describe here. Moreover, these experiments reveal that each competing phase itself remains an incompletely solved mystery.

cond-mat.mtrl-sci↗

Effect of surfaces and interfaces on the electronic, magnetic and gap-related properties of the half-metal Co$_2$MnSn

We present state-of-the-art electronic structure calculations for the Co$_2$MnSn full-Heusler alloy. We show that in its bulk form it is a half-metallic ferromagnet with the Fermi level being located within a tiny gap of the minority-spin density of states. Moreover the alloy shows the Slater-Pauling behavior with a total spin magnetic moment in the unit cell of 5 $μ_B$. In the case of the (001) surfaces, the broken bonds at the surface form a minority band pinned exactly at the Fermi level destroying the half-metallicity. Our calculations reveal that both the interfaces with the non-magnetic metal V and the semiconductor InAs are no more half-metallic due to the different environment of the atoms of the half-metal at the interface. These interface states although localized only at the first few interface layers can become conducting when coupled to defect states and kill the spin-polarization of the current injected from the half-metal into the semiconductor or the non-magnetic metallic spacer.

cond-mat.mtrl-sci↗

Symmetry-mode-based classical and quantum mechanical formalism of lattice dynamics

We present classical and quantum mechanical descriptions of lattice dynamics, from the atomic to the continuum scale, using atomic scale symmetry modes and their constraint equations. This approach is demonstrated for a one-dimensional chain and a two-dimensional square lattice with a monatomic basis. For the classical description, we find that rigid modes, in addition to the distortional modes found before, are necessary to describe the kinetic energy. The long wavelength limit of the kinetic energy terms expressed in terms of atomic scale modes is shown to be consistent with the continuum theory, and the leading order corrections are obtained. For the quantum mechanical description, we find conjugate momenta for the atomic scale symmetry modes. In direct space, graphical rules for their commutation relations are obtained. Commutation relations in the reciprocal space are also calculated. As an example, phonon modes are analyzed in terms of symmetry modes. We emphasize that the approach based on atomic scale symmetry modes could be useful, for example, for the description of multiscale lattice dynamics and the dynamics near structural phase transition.

cond-mat.mtrl-sci↗

Large Area Growth of Aligned CNT Arrays on Spheres: Towards the Large Scale and Continuous Production

A novel strategy for the large scale and continuous production of aligned carbon nanotube arrays using millimeter-diameter spheres as growth substrates is reported. The present technique is more productive than the conventional process on flat wafers because of the higher available growth surface and the good fluidity of the spherical substrates. It can be adapted for the industrial production and application of aligned carbon nanotube arrays with lengths up to millimeter.

cond-mat.mtrl-sci↗

The Ba2LnFeNb4O15 Tetragonal Tungsten Bronze: towards RT composite multiferroics

Several Niobium oxides of formula Ba2LnFeNb4O15 (Ln = La, Pr, Nd, Sm, Eu, Gd) with the Tetragonal Tungsten Bronze (TTB) structure have been synthesised by conventional solid-state methods. The Neodymium, Samarium and Europium compounds are ferroelectric with Curie temperature ranging from 320 to 440K. The Praseodymium and Gadolinium compounds behave as relaxors below 170 and 300 K respectively. The Praseodymium, Neodymium, Samarium, Europium and Gadolinium compounds exhibit magnetic hysteresis loops at room temperature originating from traces of a barium ferrite secondary phase. The presence of both ferroelectric and magnetic hysteresis loops at room temperature allows considering these materials as composites multiferroic. Based on crystal-chemical analysis we propose some relationships between the introduction of Ln3+ ions in the TTB framework and the chemical, structural and physical properties of these materials.

cond-mat.mtrl-sci↗

Virus Structure: From Crick and Watson to a New Conjecture

We conjecture that certain patterns (scars), theoretically and numerically predicted to be formed by electrons arranged on a sphere to minimize the repulsive Coulomb potential (the Thomson problem) and experimentally found in spherical crystals formed by self-assembled polystyrene beads (an instance of the generalized Thomson problem), could be relevant to extend the classic Caspar and Klug construction for icosahedrally-shaped virus capsids. The main idea is that scars could be produced at an intermediate stage of the assembly of the virus capsids and the release of the bending energy present in scars into stretching energy could allow for a variety of non-spherical capsids' shapes. The conjecture can be tested in experiments on the assembly of artificial protein-cages where these scars should appear.

q-bio.QM↗

Persistent Current in Two Coupled Rings

We report the solution of the persistent current in two coupled rings in the presence of external magnetic fluxes. We showed that the magnetic fluxes modify the global phase of the electronic wave function for multiple connected geometry formed by the coupled rings. We obtained an exact solution for the persistent current and investigated the exact solution numerically. For two large coupled rings with equal fluxes, we found that the persistent current in the two coupled rings is in fact equal to that in a single ring. This theory explains the experimental results observed in a line of sixteen coupled rings. (Phys. Rev. Lett. 86, 3124 (2001).)

cond-mat.mtrl-sci↗

Analysis of atomic depth profiles directly extracted from Rutherford backscattering data for co-sputtered and ion irradiated Au-Ni films

Co-sputtered Au-Ni thin films having thickness of 30 nm were deposited on Si(100) substrates and irradiated with 160 keV ^{40}Ar^{+} under ambient condition at a number of fluences and analyzed using Rutherford backscattering spectrometry (RBS). The variation of Au signal counts in the RBS spectra with ion dose has been investigated. The distribution of Au, Ni and Si atoms over various depths within the as deposited and irradiated samples have been computed using the backscattering data by means of a direct analytical method. Au and Si profiles have been fitted with error function and the relative changes in variance for various ion fluences compared to that of as deposited profiles have been studied. The spreading rates of different constituents across the interface due to Ar ion impact have also been discussed.

cond-mat.mtrl-sci↗

Soret Motion of a Charged Spherical Colloid

The thermophoretic motion of a charged spherical colloidal particle and its accompanying cloud of counterions and co-ions in a temperature gradient is studied theoretically. Using the Debye-Huckel approximation, the Soret drift velocity of a weakly charged colloid is calculated analytically. For highly charged colloids, the nonlinear system of electrokinetic equations is solved numerically, and the effects of high surface potential, dielectrophoresis, and convection are examined. Our results are in good agreement with some of the recent experiments on highly charged colloids without using adjustable parameters.

cond-mat.soft↗

Ignition and Propagation of Magnetic Avalanches in Mn$_{12}$-Acetate: the effect of quantum tunneling

Using a wire heater to ignite magnetic avalanches in fixed magnetic field applied along the easy axis of single crystals of the molecular magnet Mn$_{12}$-acetate, we report fast local measurements of the temperature and time-resolved measurements of the local magnetization as a function of magnetic field. In addition to confirming maxima in the velocity of propagation, we find that avalanches trigger at a threshold temperature which exhibits pronounced minima at resonant magnetic fields, demonstrating that thermally assisted quantum tunneling plays an important role in the ignition as well as the propagation of magnetic avalanches in molecular magnets.

cond-mat.mes-hall↗

Temperature Coefficients of the Raman Peaks for the Single-Layer and Bi-Layer Graphene

We carried out micro-Raman spectroscopy of graphene layers over the temperature range from approximately 80 K to 370 K. The number of layers was independently confirmed by the quantum Hall measurements and atomic force microscopy. The measured values of the temperature coefficients for the G and 2D-band frequencies of the single-layer graphene are -0.016 1/(cm K) and -0.034 1/(cm K), respectively. The G peak temperature coefficient of the bi-layer graphene and bulk graphite are -0.015 1/(cm K) and -0.011 1/(cm K), respectively.

cond-mat.mtrl-sci↗

Mechanical properties of the two-filament insulin amyloid fibril: a theoretical study

We study the two-filament insulin fibril's structure by incorporating recent simulation results and mechanical measurements. Our investigation suggests that the persistence length measurement correlates well with the previously proposed structural model, while the elasticity measurement suggests that stretching the fibril may involve hydrogen bond breakage. Our work illustrates an attempt to correlate nanoscale measurements with microscopic information on the quaternary protein structure.

cond-mat.soft↗