Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics
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 tran...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Physical Society
2023
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| _version_ | 1797109938365923328 |
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| author | Testa, DM Svensson, P Jackson, J Campbell, T Gregori, G |
| author_facet | Testa, DM Svensson, P Jackson, J Campbell, T Gregori, G |
| author_sort | Testa, DM |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-07T07:48:11Z |
| format | Journal article |
| id | oxford-uuid:3d6de2ea-929f-4988-8ca4-43e67b8d4620 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T07:48:11Z |
| publishDate | 2023 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | oxford-uuid:3d6de2ea-929f-4988-8ca4-43e67b8d46202023-06-23T09:17:15ZSelf-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamicsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:3d6de2ea-929f-4988-8ca4-43e67b8d4620EnglishSymplectic ElementsAmerican Physical Society2023Testa, DMSvensson, PJackson, JCampbell, TGregori, GThe 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. |
| spellingShingle | Testa, DM Svensson, P Jackson, J Campbell, T Gregori, G Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics |
| title | Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics |
| title_full | Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics |
| title_fullStr | Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics |
| title_full_unstemmed | Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics |
| title_short | Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics |
| title_sort | self diffusion of a relativistic lennard jones gas via semirelativistic molecular dynamics |
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