تقرير
Open Systems out of Equilibrium: Theory and Simulation
| العنوان: | Open Systems out of Equilibrium: Theory and Simulation |
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| المؤلفون: | Viand, Roya Ebrahimi, Höfling, Felix, Klein, Rupert, Site, Luigi Delle |
| المصدر: | J. Chem. Phys. 153, 101102 (2020) |
| سنة النشر: | 2020 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Statistical Mechanics, Condensed Matter - Soft Condensed Matter, Physics - Chemical Physics, Physics - Computational Physics |
| الوصف: | 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. Comment: page 1-6 main manuscript with 3 figures, page 7-11 supplementary material with 4 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1063/5.0014065 |
| URL الوصول: | http://arxiv.org/abs/2005.07481 |
| رقم الأكسشن: | edsarx.2005.07481 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1063/5.0014065 |
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