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Statistical Mechanics of Dissipative Particle Dynamics
Abstract
The stochastic differential equations corresponding to the updating algorithm of Dissipative Particle Dynamics (DPD), and the corresponding Fokker-Planck equation are derived. It is shown that a slight modification to the algorithm is required before the Gibbs distribution is recovered as the stationary solution to the Fokker-Planck equation. The temperature of the system is then directly related to the noise amplitude by means of a fluctuation-dissipation theorem. However, the correspondingly modified, discrete DPD algorithm is only found to obey these predictions if the length of the time step is sufficiently reduced. This indicates the importance of time discretisation in DPD.
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Cites
Lattice-gas automata for the Navier-Stokes equation
Frisch, U., Hasslacher, B., & Pomeau, Y. (1986) · Physical Review Letters · doi:10.1103/physrevlett.56.1505 · Cited by 2,788
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
How Water’s Properties Are Encoded in Its Molecular Structure and Energies
Brini, E., Fennell, C. J., Fernandez-Serra, M., Hribar-Lee, B., Lukšič, M., & Dill, K. A. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00259 · Cited by 518
Bultreys, T., De Boever, W., & Cnudde, V. (2016) · Earth-Science Reviews · doi:10.1016/j.earscirev.2016.02.001 · Cited by 474
(2009) · JuSER (Forschungszentrum Jülich) · Cited by 465
Ulianov, S. V., Khrameeva, E. E., Gavrilov, A. A., Flyamer, I. M., Kos, P., Mikhaleva, E. A., Penin, A. A., Logacheva, M. D., Imakaev, M. V., Chertovich, A., et al. (2016) · Genome Research · doi:10.1101/gr.196006.115 · Cited by 388
Metadata
- Authors
- Español, P., & Warren, P.
- Venue
- Europhysics Letters (EPL)
- Publisher
- IOP Publishing
- Published
- 1995-05-01
- Volume
- 30
- Issue
- 4
- Pages
- 191-196
- ISSN
- 0295-5075 (ISSN-L)
- 1286-4854
- OpenAlex
- W2030891958
- Cited by
- 2,835
- References
- 1
- FWCI
- 8.63
- Type
- journal article
- Language
- en
- Open access
- closed
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- Español, P., & Warren, P. (1995). Statistical Mechanics of Dissipative Particle Dynamics. Europhysics Letters (EPL). https://doi.org/10.1209/0295-5075/30/4/001
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
