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Title: Stochastic Molecular Dynamics

Journal Article · · Proposed Journal Article, unpublished
OSTI ID:1572611
 [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

I can not pass up the opportunity to honor Graeme Bird, a true gentleman and a real scholar, if there ever was one. When we first met at a rarefied gas dynamics conference, it was instant mutual admiration. Furthermore, we met rarely thereafter at subsequent rarefied gas meetings since I attended them infrequently as a physicist interested in hydrodynamics, where often even a rarefied gas without deterministic collisions can serve as a simple fluid model but Graeme attended them regularly. In that rst meeting I became aware of DSMC, read Graeme paper and found to my astonishment that the only reference in that paper was to my molecular dynamics work2. Indeed DSMC is computationally faster competitor to molecular dynamics and it is this feature that I would like to emphasize in this brief note. It is for this reason that I entitled this contribution \stochastic molecular dynamics". I once told Graeme that that would have been a more descriptive name to his method than DSMC. DSMC is also a good demonstration that an algorithm developed for an entirely different purposes can also be very useful for other applications.

Research Organization:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
DOE Contract Number:
AC52-07NA27344
OSTI ID:
1572611
Report Number(s):
LLNL-JRNL-769862; 960971
Journal Information:
Proposed Journal Article, unpublished, Vol. 2019; ISSN 9999-9999
Publisher:
See Research Organization
Country of Publication:
United States
Language:
English

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