The random force in molecular dynamics with electronic friction
Statistical Mechanics
2021-03-05 v1
Abstract
The Langevin equation includes a random force to maintain equilibrium and prevent friction from bringing motion to a standstill; but for ballistic motion, the random force is often neglected. Here, we use the Langevin equation for molecular dynamics simulations of 2.76 eV H-atoms experiencing electronic friction in collisions with 300 K metals, where a random force arises from thermal electron-hole pairs. Simulations without the random force fail dramatically to reproduce experiment, although the incidence energy is much larger than . We analyze the Ornstein-Uhlenbeck process to show that this is a general property of ballistic particles experiencing friction under the influence of thermal fluctuations.
Cite
@article{arxiv.2103.03005,
title = {The random force in molecular dynamics with electronic friction},
author = {Nils Hertl and Raidel Martin-Barrios and Oihana Galparsoro and Pascal Larregaray and Daniel J. Auerbach and Dirk Schwarzer and Alec M. Wodtke and Alexander Kandratsenka},
journal= {arXiv preprint arXiv:2103.03005},
year = {2021}
}
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