相关论文: Gallium interstitial contributions to diffusion in…
Ga2O3 is being actively explored for high-power and high-temperature electronics, deep-ultraviolet optoelectronics, and other applications. Efficient n-type doping of Ga2O3 has been achieved, but p-type doping faces fundamental obstacles…
We employed a recently developed semi-empirical Zr potential to determine the diffusivities in the hcp and bcc Zr via molecular dynamics simulation. The point defect concentration was determined directly from MD simulation rather than from…
Cosmic rays propagating in the Galaxy may excite a streaming instability when their motion is super-alfvenic, thereby producing the conditions for their own diffusion. We present the results of a self-consistent solution of the transport…
Migration of halide defects guides ion transport in metal halide perovskites and controls the kinetics of halide mixing and phase separation. We study the diffusion of halide vacancies and interstitials in \ce{CsPb(I_{x}Br_{1-x})_{3}} and…
Diffusion-enhanced and desorption-limited growth regimes of Ga-assisted GaAs nanowires were identified. In the latter regime, the number of vertical NWs with a narrow length distribution was increased by raising the growth temperature. The…
Tungsten is a promising candidate material for plasma-facing armour components in future fusion reactors. A key concern is irradiation-induced degradation of its normally excellent thermal transport properties. In this comprehensive study,…
We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole…
The effect of Coulomb scattering on graphene conductivity in field effect transistor structures is discussed. Inter-particle scattering (electron-electron, hole-hole, and electron-hole) and scattering on charged defects are taken into…
First-principles density-functional theory has been used to investigate equilibrium geometries, total energies, and diffusion barriers for H as an interstitial impurity absorbed in $\alpha$-Fe. Internal strains/stresses upon hydrogen…
Dynamical interactions between colliding spiral galaxies strongly affect the state and distribution of their interstellar gas. Observations indicate that interactions funnel gas toward the nuclei, fueling bursts of star formation and…
Impurity diffusion in Zr is potentially important for many applications of Zr alloys, and in particular for their use of nuclear reactor cladding. However, significant uncertainty presently exists about which elements are vacancy vs.…
Attaining low resistivity AlGaN layers is the keystone to improve the efficiency of light emitting devices in the ultraviolet spectral range. Here, we present a microstructural analysis of Ge-doped AlGaN samples with Al mole fraction from…
Coarse-graining atomic displacements in a solid produces both local affine strains and "non-affine" fluctuations. Here we study the equilibrium dynamics of these coarse grained quantities to obtain space-time dependent correlation…
We report on the observation of strong backscattering of charge carriers in the quantum Hall regime of polycrystalline graphene grown by chemical vapor deposition, which alters the accuracy of the Hall resistance quantization. The…
A discontinuous Galerkin method has been developed for strain gradient-dependent damage. The strength of this method lies in the fact that it allows the use of $C^0$ interpolation functions for continuum theories involving higher-order…
We report the prediction of temperature-dependent diffusion coefficients of interstitial hydrogen, deuterium, and tritium atoms in $\alpha$-Ti using transition state theory. The microscopic parameters in the pre-factor and activation energy…
Chemically driven fluids can demix to form condensed droplets that exhibit phase behaviors not observed at equilibrium. In particular, nonequilibrium interfacial properties can emerge when the chemical reactions are driven differentially…
The calculation of the discrete atomistic energy of a crystal near the continuum limit encounters difficulties caused by the geometric discrepancy between the continuum region occupied by the body, and the discrete collection of lattice…
An influence of Mg and Si dopants on the formation energies and the concentration of point defects in yttrium aluminum garnet (YAG) is studied using the density functional approach. The formation energies of Mg and Si substitutional and…
We present a Raman study of Ar(+)-bombarded graphene samples with increasing ion doses. This allows us to have a controlled, increasing, amount of defects. We find that the ratio between the D and G peak intensities for a given defect…