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Plastic deformation of most crystalline materials is due to the motion of lattice dislocations. Therefore, the simulation of the interaction and dynamics of these defects has become state-of-the-art method to study work hardening, size…

Materials Science · Physics 2020-10-02 Gábor Péterffy , Péter Dusán Ispánovity

A new tool for modeling electrochemical kinetics is presented. An extension of the Stochastic Simulation Algorithm framework to electrochemical systems is proposed. The physical justifications and constraints for the derivation of a…

Chemical Physics · Physics 2016-09-20 O. Beruski

A 2D slab approximation of the interactions of electrons with intense linearly polarized laser radiation and static electric and magnetic fields is widely used for both numerical simulations and simplified semi-analytical models. It is…

Plasma Physics · Physics 2018-02-02 Yanzeng Zhang , S. I. Krasheninnikov

In this paper, we consider Langevin processes with mechanical constraints. The latter are a fundamental tool in molecular dynamics simulation for sampling purposes and for the computation of free energy differences. The results of this…

Statistical Mechanics · Physics 2011-04-19 Tony Lelievre , Mathias Rousset , Gabriel Stoltz

We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on timescales that are unreachable in standard simulations.…

Chemical Physics · Physics 2023-02-09 Ofir Blumer , Shlomi Reuveni , Barak Hirshberg

A simple and computationally efficient algorithm enables implementing negative temperature values in a spin dynamics simulation. The algorithm uses a Langevin spin dynamics thermostat with a negative damping parameter, enabling the…

Materials Science · Physics 2024-03-05 Pui-Wai Ma , Sergei L. Dudarev

Langevin equations are used to model many processes of physical interest, including low-energy nuclear collisions. In this paper we develop a general method for computing probabilities of very rare events (e.g. small fusion cross-sections)…

Nuclear Theory · Physics 2009-10-31 O. Mazonka , C. Jarzynski , J. Blocki

A new model description for the numerical simulation of elastic stents is proposed. Based on the new formulation an inf-sup inequality for the finite element discretization is proved and the proof of the inf-sup inequality for the…

Numerical Analysis · Mathematics 2018-12-27 Luka Grubisic , Matko Ljulj , Volker Mehrmann , Josip Tambaca

Damping and thermal fluctuations have been introduced to collective normal modes of a magnetic system in recent modeling of dynamic thermal magnetization processes. The connection between this collective stochastic dynamics and physical…

Condensed Matter · Physics 2009-11-10 H. Neal Bertram , Xiaobin Wang

We present the results of simulation of the chaotic dynamics of quantized vortices in the bulk of superfluid He II. Evolution of vortex lines is calculated on the base of the Biot-Savart law. The dissipative effects appeared from the…

Condensed Matter · Physics 2016-08-31 L. P. Kondaurova , S. K. Nemirovskii , M. V. Nedoboiko

Finite difference based micromagnetic simulations are a powerful tool for the computational investigation of magnetic structures. In this paper, we demonstrate how the discretization of continuous micromagnetic equations introduces a…

Materials Science · Physics 2024-12-17 Samuel J. R. Holt , Andrea Petrocchi , Martin Lang , Swapneel A. Pathak , Hans Fangohr

A composite multiferroic chain with an interfacial linear magneto-electric coupling is used to study the magnetic and electric responses to an external magnetic or electric field. The simulation uses continuous spin dynamics through the…

Mesoscale and Nanoscale Physics · Physics 2015-08-25 Zidong Wang , Malcolm J. Grimson

A numerical model based on the finite-difference time-domain method is developed to simulate fluctuations which accompany the dephasing of atomic polarization and the decay of excited state's population. This model is based on the…

Optics · Physics 2009-08-31 Jonathan Andreasen , Hui Cao

We discuss the use of a Langevin equation with a colored (correlated) noise to perform constant-temperature molecular dynamics simulations. Since the equations of motion are linear in nature, it is easy to predict the response of a…

Statistical Mechanics · Physics 2010-01-04 Michele Ceriotti , Giovanni Bussi , Michele Parrinello

Motivated by the modeling of the spatial structure of the velocity field of three-dimensional turbulent flows, and the phenomenology of cascade phenomena, a linear dynamics has been recently proposed able to generate high velocity gradients…

Time-irreversible stochastic processes are frequently used in natural sciences to explain non-equilibrium phenomena and to design efficient stochastic algorithms. Our main goal in this thesis is to analyse their dynamics by means of large…

Probability · Mathematics 2021-09-21 Mikola C. Schlottke

Here we consider the magnetization dynamics in ferromagnetic nanoparticles or films driven by external magnetic field pulses directed transverse to the initial equilibrium state. The excitation pulse drives large-angle ultra-fast…

Dynamical Systems · Mathematics 2024-10-23 Alessandro Fortunati , Massimiliano d'Aquino , Claudio Serpico

Magnetohydrodynamic simulations of core-collapse supernovae have become increasingly mature and important in recent years. Magnetic fields take center stage in scenarios for explaining hypernova explosions, but are now also considered in…

High Energy Astrophysical Phenomena · Physics 2024-03-29 Bernhard Müller

Dynamical sampling deals with signals that evolve in time under the action of a linear operator. The purpose of the present paper is to analyze the performance of the basic dynamical sampling algorithms in the finite dimensional case and…

Numerical Analysis · Mathematics 2018-10-16 Akram Aldroubi , Longxiu Huang , Ilya Krishtal , Akos Ledeczi , Roy R. Lederman , Peter Volgyesi

Topological defects resulted from boundary constraints in confined liquid crystals have attracted extensive research interests. In this paper, we use numerical simulation to study the phase transition dynamics in the context of stochastic…

Soft Condensed Matter · Physics 2018-10-03 Yucheng Hu , Liu Hong , Weihua Deng