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Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics

Abstract:
The capability for molecular dynamics simulations to treat relativistic dynamics is extended by the inclusion of relativistic kinetic energy. In particular, relativistic corrections to the diffusion coefficient are considered for an argon gas modeled with a Lennard-Jones interaction. Forces are transmitted instantaneously without being retarded, an approximation that is allowed due to the short-range nature of the Lennard-Jones interaction. At a mass density of 1.4g/cm3, significant deviations from classical results are observed at temperatures above kBT≈0.05mc2, corresponding to an average thermal velocity of 32% of the speed of light. For temperatures approaching kBT≈mc2, the semirelativistic simulations agree with analytical results for hard spheres, which is seen to be a good approximation as far as diffusion effects are concerned.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1103/PhysRevE.107.054138

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Atomic & Laser Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Atomic & Laser Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Atomic & Laser Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Atomic & Laser Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Atomic & Laser Physics
Oxford college:
Lady Margaret Hall
Role:
Author
ORCID:
0000-0002-4153-0628


Publisher:
American Physical Society
Journal:
Physical Review E More from this journal
Volume:
107
Issue:
5
Article number:
054138
Publication date:
2023-05-30
Acceptance date:
2023-05-08
DOI:
EISSN:
1550-2376
ISSN:
1539-3755


Language:
English
Keywords:
Pubs id:
1340657
Local pid:
pubs:1340657
Deposit date:
2023-05-11

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