Coupling continuum to molecular-dynamics simulation: Reflecting particle method and the field estimator

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 57, Issue 6, 1998, Pages 7259-7267

  Li, Ju ^a   Liao, Dongyi ^a   Yip, Sidney ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002246664     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.57.7259     Document Type: Article

References (21)

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11. The reduced units are length in terms of σ; energy in terms of εff; mass in terms of mf. Thus one reduced time unit is (mfσ2/εff)1/2, one reduced temperature unit is εff/kB, one reduced stress unit is εff/σ3, etc.
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14. In a more general setup it may not be true, and perhaps we need to solve a scattering problem where f1,f2 is generalized to f1(v),f2(v). Here the claim holds because there is specular symmetry in the particle speed distribution and the reflection is elastic.
15. E. S. Keeping, Introduction to Statistical Inference (Van Nostrand, Princeton, 1962).
16. In reality certain fields may be known beforehand, such as ρ(x) and v(x) in convectionless heat conduction problems.
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18. It is not necessary to employ two RPM membranes or even p=1 to induce appreciable flow at this condition, but we use the example to show that it can be done. If necessary we can always have strong enough flow by placing several RPM membranes.
19. Particle dynamics are strongly perturbed by RPM near the membrane, so it is advisable to discard those data and only estimate the fields inside the region of interest. The presence of a geometrical singularity (the barrier) causes large basis sets to be used.
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