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Article: On the rate of convergence to equilibrium of the Andersen Thermostat in molecular dynamics
| Title | On the rate of convergence to equilibrium of the Andersen Thermostat in molecular dynamics |
|---|---|
| Authors | |
| Issue Date | 2007 |
| Citation | Journal of Statistical Physics, 2007, v. 129, n. 2, p. 265-287 How to Cite? |
| Abstract | It has been shown in E and Li (Comm. Pure. Appl. Math., 2007, in press) that the Andersen dynamics is uniformly ergodic. Exponential convergence to the invariant measure is established with an error bound of the form where N is the number of particles, ν is the collision frequency and κ(ν) →const as ν→0. In this article we study the dependence on ν of the rate of convergence to equilibrium. In the one dimension and one particle case, we improve the error bound to be in the d-dimension N-particle free-streaming case, it is proved that the optimal error bound is also shown that as ν→∞, on the diffusive time scale, the Andersen dynamics converges to a Smoluchowski equation. © 2007 Springer Science+Business Media, LLC. |
| Persistent Identifier | http://hdl.handle.net/10722/326732 |
| ISSN | 2023 Impact Factor: 1.3 2023 SCImago Journal Rankings: 0.798 |
| ISI Accession Number ID |
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Li, Dong | - |
| dc.date.accessioned | 2023-03-31T05:26:08Z | - |
| dc.date.available | 2023-03-31T05:26:08Z | - |
| dc.date.issued | 2007 | - |
| dc.identifier.citation | Journal of Statistical Physics, 2007, v. 129, n. 2, p. 265-287 | - |
| dc.identifier.issn | 0022-4715 | - |
| dc.identifier.uri | http://hdl.handle.net/10722/326732 | - |
| dc.description.abstract | It has been shown in E and Li (Comm. Pure. Appl. Math., 2007, in press) that the Andersen dynamics is uniformly ergodic. Exponential convergence to the invariant measure is established with an error bound of the form where N is the number of particles, ν is the collision frequency and κ(ν) →const as ν→0. In this article we study the dependence on ν of the rate of convergence to equilibrium. In the one dimension and one particle case, we improve the error bound to be in the d-dimension N-particle free-streaming case, it is proved that the optimal error bound is also shown that as ν→∞, on the diffusive time scale, the Andersen dynamics converges to a Smoluchowski equation. © 2007 Springer Science+Business Media, LLC. | - |
| dc.language | eng | - |
| dc.relation.ispartof | Journal of Statistical Physics | - |
| dc.title | On the rate of convergence to equilibrium of the Andersen Thermostat in molecular dynamics | - |
| dc.type | Article | - |
| dc.description.nature | link_to_subscribed_fulltext | - |
| dc.identifier.doi | 10.1007/s10955-007-9391-0 | - |
| dc.identifier.scopus | eid_2-s2.0-35348919447 | - |
| dc.identifier.volume | 129 | - |
| dc.identifier.issue | 2 | - |
| dc.identifier.spage | 265 | - |
| dc.identifier.epage | 287 | - |
| dc.identifier.isi | WOS:000250139500004 | - |