Delle Site, L. and Klein, R. (2020) Liouvilletype equations for the nparticle distribution functions of an open system. Journal of Mathematical Physics, 61 (8).

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Official URL: https://doi.org/10.1063/5.0008262
Abstract
In this work we derive a mathematical model for an open system that exchanges particles and momentum with a reservoir from their joint Hamiltonian dynamics. The complexity of this manyparticle problem is addressed by introducing a countable set of nparticle phase space distribution functions just for the open subsystem, while accounting for the reservoir only in terms of statistical expectations. From the Liouville equation for the full system we derive a set of coupled Liouvilletype equations for the nparticle distributions by marginalization with respect to reservoir states. The resulting equation hierarchy describes the external momentum forcing of the open system by the reservoir across its boundaries, and it covers the effects of particle exchanges, which induce probability transfers between the n and (n+1)particle distributions. Similarities and differences with the BergmannLebowitz model of open systems (P.G.Bergmann, J.L. Lebowitz, Phys.Rev., 99:578587 (1955)) are discussed in the context of the implementation of these guiding principles in a computational scheme for molecular simulations.
Item Type:  Article 

Additional Information:  SFB 1114 Preprint in arXiv:1907.07557 article reference: 083102 
Subjects:  Mathematical and Computer Sciences > Mathematics > Applied Mathematics 
Divisions:  Department of Mathematics and Computer Science > Institute of Mathematics > Geophysical Fluid Dynamics Group 
ID Code:  2363 
Deposited By:  Silvia Hoemke 
Deposited On:  08 Aug 2019 10:23 
Last Modified:  10 Aug 2020 09:55 
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