Related papers: Superionic-like diffusion in an elemental crystal:…
We describe a dynamical phase transition occurring within a shear band at high temperature and under extremely high shear rates. With increasing temperature, dislocation deformation and grain boundary sliding is supplanted by amorphization…
We report studies on the vibrational and elastic behavior of lithium oxide, Li2O around its superionic transition temperature. Phonon frequencies calculated using the ab-initio and empirical potential model are in excellent agreement with…
We present calculations of free energy barriers and diffusivities as functions of temperature for the diffusion of hydrogen in bcc-Fe. This is a fully quantum mechanical approach since the total energy landscape is computed using a new self…
A quasicrystal is an ordered but non-periodic structure understood as a projection from a higher dimensional periodic structure. Some physical properties of quasicrystals are different from those of conventional solids. An anomalous…
Crystals with low latent heat are predicted to melt from an entropically stabilized body-centered cubic symmetry. At this weakly first-order transition, strongly correlated fluctuations are expected to emerge, which could change the nature…
Generally displacement fields in the vicinity of voids were determined by the equations of theory of elasticity. Such a description has its disadvantages as it does not take into account the discrete atomic structure of materials and it…
The ion-ion interactions become exponentially screened for ions confined in ultranarrow metallic pores. To study the phase behaviour of an assembly of such ions, called a superionic liquid, we develop a statistical theory formulated on…
Based on recent calculations of the self-diffusion (SD) coefficient in amorphous silicon (a-Si) by classical Molecular Dynamics simulation [M. Posselt, H. Bracht, and D. Radi\'c, J. Appl. Phys. 131, 035102 (2022)] detailed investigations on…
Processes driven by unsteady reconnection can efficiently accelerate particles in many astrophysical plasmas. An example are the reconnection jet fronts in an outflow region. We present evidence of suprathermal ion acceleration between two…
We develop a non-perturbative theory to study large-scale quantum dynamics of Dirac particles in disordered scalar potentials (the so-called "topological metal"). For general disorder strength and carrier doping, we find that at large…
A possibility of the condensation of excitations with a non-zero momentum in rectilinearly moving and rotating superfluid bosonic and fermionic (with Cooper pairing) media is considered in terms of a phenomenological order-parameter…
Using density functional molecular dynamics free energy calculations, we show that the body-centered-cubic phase of superionic ice previously believed to be the only phase is in fact thermodynamically unstable compared to a novel phase with…
A two stream model of boron diffusion in silicon has been developed. The model is intended for simulation of transient enhanced diffusion including redistribution of ion-implanted boron during low temperature annealing. The following…
We study the diffusive behavior of biased Brownian particles in a two dimensional confined geometry filled with the freezing obstacles. The transport properties of these particles are investigated for various values of the obstacles density…
Clays and micas are receiving attention as materials that, in their atomically thin form, could allow for novel proton conductive, ion selective, osmotic power generation, or solvent filtration membranes. The interest arises from the…
Diffusion is a central phenomenon in almost all fields of natural science revealing microscopic processes from the observation of macroscopic dynamics. Here, we consider the paradigmatic system of a single atom diffusing in a periodic…
We have studied some transport properties of cold atoms in an accelerated optical lattice in the presence of decohering effects due to spontaneous emission. One new feature added is the effect of an external AC drive. As a result we obtain…
We present a combined experimental and computational first-principles study of the superionic and structural properties of CaF2 at high P-T conditions. We observe an anomalous superionic behavior in the low-P fluorite phase that consists in…
Using the methods of computer modeling this scientific paper studies the special features of diffusion of the particles subjected to the external periodic force in the crystal lattice. The particle motion is described by a Langevin…
We investigate the dynamics of an overdamped Brownian particle moving in a washboard potential with space dependent friction coefficient. Analytical expressions have been obtained for current and diffusion coefficient. We show that the…