相关论文: Sink strength calculations of dislocations and loo…
We determine the critical layer thickness for the appearance of misfit dislocations as a function of the misfit between the lattice constants of the substrate and the adsorbate from Kinetic Monte Carlo (KMC) simulations of heteroepitaxial…
Object kinetic Montecarlo (OkMC) is a fundamental tool for modeling defect evolution in volumes and times far beyond atomistic models. The elastic interaction between defects is classically considered using a dipolar approximation but this…
This paper separately evaluates the effects of inclination and asymmetry of solar coronal loops on the resonant absorption of kink magnetohydrodynamic (MHD) oscillations. We modelled a typical coronal loop by a straight and axisymmetric…
In a companion paper, we proposed new analytical expressions of cluster sink-strengths (CSS) indispensable to any complete parameterization of rate equations cluster dynamics accounting for reaction between defect clusters populations…
In this work we introduce the Object Kinetic Monte Carlo (OKMC) simulator MMonCa and simulate the defect evolution in three different materials. We start by explaining the theory of OKMC and showing some details of how such theory is…
In this paper we discuss techniques, which lead to a significant improvement of the efficiency of the Monte Carlo integration, when one-loop QCD amplitudes are calculated numerically with the help of the subtraction method and contour…
We test the Sinc function representation, a novel method for numerically evaluating Feynman diagrams, by using it to evaluate the three-loop master diagrams. Analytical results have been obtained for all these diagrams, and we find…
Modeling hydrogen diffusion and its absorption in traps is a fundamental first step towards the understanding and prediction of hydrogen embrittlement. In this study, a multiscale approach which includes DFT simulations, OkMC, and…
Kinetic Rate Equation (kRE) modeling is widely used to simulate defect and impurity evolution in solids over experimentally relevant time and length scales. However, conventional kRE formulations include only random-position sink strengths,…
The aim of the present work is to derive rigorous estimates for turbulent MHD flow quantities such as the size and anisotropy of the dissipative scales, as well as the transition between 2D and 3D state. To this end, we calculate an upper…
We describe the results of object kinetic Monte Carlo (OKMC) simulations of the annealing of primary cascade damage in bulk tungsten using a comprehensive database of cascades obtained from molecular dynamics [1] as a function of primary…
Radiation-induced segregation (RIS) and chemical redistribution in structural alloys can significantly degrade material performance, ultimately leading to failure. In this study, building on previous work by the authors [1], we investigate…
Kink defects in the 90-degree partial dislocation in silicon are studied using a linear-scaling density-matrix technique. The asymmetric core reconstruction plays a crucial role, generating at least four distinct kink species as well as…
A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core…
Shrinkage strains measured from microstructural simulations using the mesoscale kinetic Monte Carlo (kMC) model for solid state sintering are discussed. This model represents the microstructure using digitized discrete sites that are either…
Cellular scale decision making is modulated by the dynamics of signalling molecules and their diffusive trajectories from a source to small absorbing sites on the cellular surface. Diffusive capture problems are computationally challenging…
Modeling the microstructural evolution of metal and alloys, specifically under irradiation, is essential to predict the aging properties of materials. Many models are based on a transition rate matrix describing the jump frequencies of…
The goal of motion tomography is to recover a description of a vector flow field using information on the trajectory of a sensing unit. In this paper, we develop a predictor corrector algorithm designed to recover vector flow fields from…
The most promising mechanism acting towards damping the kink oscillations of coronal loops is resonant absorption. In this context most of previous studies neglected the effect of the obvious equilibrium flow along magnetic field lines. The…
Context. Kink waves are routinely observed in coronal loops. Resonant absorption is a well-accepted mechanism that extracts energy from kink waves. Nonlinear kink waves are know to be affected by the Kelvin-Helmholtz instability. However,…