Repository: Freie Universität Berlin, Math Department

Open Systems out of Equilibrium: Theory and Simulation Preprint arXiv:2005.07481

Delle Site, Luigi and Klein, Rupert and Höfling, Felix and Viand, Roya Ebrahimi (2020) Open Systems out of Equilibrium: Theory and Simulation Preprint arXiv:2005.07481. SFB 1114 Preprint in arXiv . pp. 1-11. (Submitted)

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Official URL: https://arxiv.org/abs/2005.07481

Abstract

We consider the theoretical model of Bergmann and Lebowitz for open systems out of equilibrium and translate its principles in the adaptive resolution molecular dynamics technique (AdResS). We simulate Lennard-Jones fluids with open boundaries in a thermal gradient and find excellent agreement of the stationary responses with results obtained from the simulation of a larger, locally forced closed system. The encouraging results pave the way for a computational treatment of open systems far from equilibrium framed in a well-established theoretical model that avoids possible numerical artifacts and physical misinterpretations.

Item Type:Article
Subjects:Mathematical and Computer Sciences > Mathematics > Applied Mathematics
Divisions:Department of Mathematics and Computer Science > Institute of Mathematics
ID Code:2436
Deposited By: Monika Drueck
Deposited On:25 May 2020 12:50
Last Modified:26 May 2020 09:12

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