Related papers: Temperature Dependence of Self-diffusion in Cr2O3 …
Chromium dioxide CrO$_2$ belongs to a class of materials called ferromagnetic half-metals, whose peculiar aspect is to act as a metal in one spin orientation and as semiconductor or insulator in the opposite one. Despite numerous…
We have carried out extensive molecular dynamics simulations of a supercooled polydisperse Lennard-Jones liquid with large variations in temperature at a fixed pressure. The particles in the system are considered to be polydisperse both in…
The clearing up of a wave nature of the energy and mass transfer phenomena in classical expressions of the molecular-kinetic theory has allowed to find a quantitative measure of intensity of processes of a thermal conductivity, viscosity…
The dynamical and thermodynamic phase stabilities of the stoichiometric compound CrN including different structural and magnetic configurations are comprehensively investigated using a first-principles density-functional-theory (DFT) plus U…
Numerical simulations of the collapse and spreading of granular columns onto an horizontal plane using the Contact Dynamics method are presented. The final shape of the deposit seems to depend only on the aspect ratio $a$ of the columns;…
Hydrogenated amorphous carbon (a-C:H) has been proposed as one of the carbonaceous solids detected in the interstellar medium. Energetic processing of the a-C:H particles leads to the dissociation of the C-H bonds and the formation of…
UO2 doped with parts per million Cr2O3 powder is considered a potential near term accident tolerant fuel candidate. Here, the results of decades of industry and academic research into Cr-doped UO2 are analyzed and their shortcomings are…
The impact of the dispersion of the transport coefficients on the structure of the energy distribution function for charge carriers far from equilibrium has been investigated in effective-medium approximation for model densities of states.…
We electron-dope single crystal samples of SrTiO_3 by exposing them to Ar^+ irradiation and observe carrier mobility similar in its magnitude and temperature dependence to the carrier mobility in other electron-doped SrTiO3 systems. We find…
A combination of experimental techniques and molecular dynamics (MD) computer simulation is used to investigate the diffusion dynamics in Al80Ni20 melts. Experimentally, the self-diffusion coefficient of Ni is measured by the long-capillary…
Stars form in cold dense cores showing subsonic velocity dispersions. The parental molecular clouds display higher temperatures and supersonic velocity dispersions. The transition from core to cloud has been observed in velocity dispersion,…
For the classical reaction diffusion equation, the priori speed of fronts is determined exactly in the pioneering paper (R.D. Benguria and M.C. Depassier, {\em Commun. Math. Phys.} 175:221--227, 1996) by variational characterization method.…
Using density functional theory (DFT) calculations, we have systematically investigated the thermodynamic properties and structural stabilities of thorium dioxide (ThO$_2$). Based on the calculated phonon dispersion curves, we calculate the…
BaFe2Se3 (Pnma, CsAg2I3-type structure), recently assumed to show superconductivity at ~ 11 K, exhibits a pressure-dependent structural transition to the CsCu2Cl3-type structure (Cmcm space group) around 60 kbar, as evidenced from…
We have carried out systematic temperature-dependent neutron diffraction measurements in conjunction with dielectric spectroscopy from 6 to 300 K for sodium niobate based compounds (1-x) NaNbO3 -xBaTiO3 (NNBTx). The dielectric constant is…
The unexpected discovery of intrinsic ferromagnetism in layered van der Waals materials has sparked interest in both their fundamental properties and their potential for novel applications. Recent studies suggest near room-temperature…
Convection is ubiquitous in stellar and planetary interiors where it likely plays an integral role in the generation of magnetic fields. As the interiors of these objects remain hidden from direct observation, numerical models of convection…
Many complex crystals show a flattening or even increasing lattice thermal conductivity at high temperatures, which deviates from the traditional 1/T decay trend given by conventional phonon theory. In this work, we predict the thermal…
Using X-ray diffuse scattering, we investigate the critical behavior of an order-disorder phase transition in a defective "skin-layer" of V2H. In the skin-layer, there exist walls of dislocation lines oriented normal to the surface. The…
Static and dynamical properties of elastic phase transitions under the influence of short--range defects, which locally increase the transition temperature, are investigated. Our approach is based on a Ginzburg--Landau theory for…