Related papers: Charge-dependent migration pathways for the Ga vac…
We investigate the transmissions of fermions through gapped graphene structures by employing a combination of double barrier tilting and a time-oscillating potential. The latter introduces additional sidebands into the transmission…
We present a theoretical study of the interaction of vacancies with a tilt grain boundary in aluminum based on the density functional theory. The grain boundary volume expansion and vacancy induced contraction are calculated and compared…
The development and time evolution of a transport barrier in a magnetically confined plasma with non-monotonic, nonlinear dependence of the anomalous flux on mean gradients is analyzed. Upon consideration of both the spatial inhomogeneity…
The energy gradient method is used to analyze the turbulent generation in the transition boundary layer flow. It is found that the maximum of the energy gradient function occurs at the wall for the Blasius boundary layer flow. At this…
The electrostatic gating effects on molecular transistors are investigated using the density functional theory (DFT) combined with the nonequilibrium Green's function (NEGF) method. When molecular energy levels are away from the Fermi…
Kinetics of vacancy defect in graphene drives structural modifications leading to disorder, multi-vacancy complex and edge reconstruction. Within the first-principles calculations, we study the dynamic Jahn-Teller distortion and diffusion…
A process of energy transfer is demonstrated in non-equilibrium charged particle beams with anisotropy and space charge. Equipartitioning of energy between available degrees of freedom occurs in just a few betatron wavelengths, without halo…
We compute the transmission probability through rectangular potential barriers and p-n junctions in the presence of a magnetic and electric fields in bilayer graphene taking into account contributions from the full four bands of the energy…
This work presents a computational study of charge hopping dynamics along a one dimensional chain with Gaussian site energy disorder and linearly coupled quantum bath. Time dependent square displacements are calculated directly from…
The fate of electric dipoles inside a Fermi sea is an old issue, yet poorly-explored. Sr$_{1-x}$Ca$_x$TiO$_{3}$ hosts a robust but dilute ferroelectricity in a narrow ($0.002<x<0.02$) window of substitution. This insulator becomes metallic…
A reduced 1D model describing the non-linear hybrid LIGKA/HAGIS simulations was developed and successfully tested in [Carlevaro et al. PPCF 64, 035010 (2022)] addressing the ITER 15MA baseline scenario. In this paper, we introduce a…
The temporal evolution of step-edge fluctuations under electromigration conditions is analysed using a continuum Langevin model. If the electromigration driving force acts in the step up/down direction, and step-edge diffusion is the…
We demonstrate the trapping of electrons propagating ballistically at far-above-equilibrium energies in GaAs/AlGaAs heterostructures in high magnetic field. We find low-loss transport along a gate-modified mesa edge in contrast to an…
We formulate a new theory for how caging constraints in glass-forming liquids at a surface or interface are modified and then spatially transferred, in a layer-by-layer bootstrapped manner, into the film interior in the context of the…
The low symmetry of monoclinic $\beta$-Ga$_2$O$_3$ leads to elaborate intrinsic defects, such as Ga vacancies split amongst multiple lattice sites. These defects contribute to fast, anisotropic Ga diffusion, yet their complexity makes it…
A transfer matrix approach to study ballistic charge transport in few-layer graphene with chiral-symmetric stacking configurations is developed. We demonstrate that the chiral symmetry justifies a non-Abelian gauge transformation at the…
The fate of deformable buoyancy-driven bubbles rising near a vertical wall under highly inertial conditions is investigated numerically. In the absence of path instability, simulations reveal that when the Galilei number, $Ga$, which…
A characteristic dependence of voltage control of perpendicular magnetic anisotropy (VCMA) on oxygen migration at Fe/MgO interfaces was revealed by performing systematic {\it ab initio} study of the energetics of the oxygen path around the…
A new type of self-similar potential is used to study a multibarrier system made of graphene. Such potential is based on the traditional middle third Cantor set rule combined with a scaling of the barriers height. The resulting transmission…
A position-dependent stochastic diffusion model of gating in ion channels is developed by considering the spatial variation of the diffusion coefficient between the closed and open states. It is assumed that a sensor which regulates the…