Viand, R. E. and Höfling, F. and Klein, R. and Delle Site, L.
(2020)
*Open Systems out of Equilibrium: Theory and Simulation.*
J. Chem. Phys., 153
(10).

Full text not available from this repository.

## Abstract

We consider the theoretical model of Bergmann and Lebowitz for open systems out of equilibriumand 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 excellentagreement of the stationary responses with results obtained from the simulation of a larger, locallyforced closed system. The encouraging results pave the way for a computational treatment of opensystems far from equilibrium framed in a well-established theoretical model that avoids possiblenumerical artifacts and physical misinterpretations.

Item Type: | Article |
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Subjects: | Mathematical and Computer Sciences > Mathematics > Applied Mathematics |

Divisions: | Department of Mathematics and Computer Science > Institute of Mathematics > Geophysical Fluid Dynamics Group |

ID Code: | 2499 |

Deposited By: | Ulrike Eickers |

Deposited On: | 18 Feb 2021 10:26 |

Last Modified: | 18 Feb 2021 10:28 |

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