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An alternative approach to dissipative particle dynamics
Abstract
We describe a simulation method based on combining the ideas behind Andersen's thermostat and dissipative particle dynamics (DPD). The result is a Galilean invariant thermostat that conserves momentum and enhances viscosity. It therefore displays the same characteristics as DPD. Our method differs primarily in that it satisfies detailed balance by construction. If a simple scheme is used to solve the equations of motion the thermostat does not disturb the equilibrium properties of the system, regardless of the time step. We illustrate the properties of the model by describing the results of various tests on the analogous system to the dissipative ideal gas. We show that with an appropriate choice of parameters it is practical to make the viscosity orders of magnitude greater than the diffusion coefficient. This is a criterion that should be satisfied if one is interested in studying the dynamics of mesoscopic systems.
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Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Jiang, W., Hardy, D. J., Phillips, J. C., MacKerell, A. D., Schulten, K., & Roux, B. (2011) · The Journal of Physical Chemistry Letters · doi:10.1021/jz101461d · Cited by 279
How good are coarse-grained polymer models? A comparison for atactic polystyrene
Karimi‐Varzaneh, H. A., van der Vegt, N. F. A., Müller‐Plathe, F., & Carbone, P. (2012) · ChemPhysChem · doi:10.1002/cphc.201200111 · Cited by 114
Topological entanglement length in polymer melts and nanocomposites by a DPD polymer model
Karatrantos, A., Clarke, N., Composto, R. J., & Winey, K. I. (2013) · Soft Matter · doi:10.1039/c3sm27651a · Cited by 76
A highly coarse-grained model to simulate entangled polymer melts
Zhu, Y.-L., Liu, H., & Lu, Z.-Y. (2012) · The Journal of Chemical Physics · doi:10.1063/1.3702942 · Cited by 16
Metadata
- Authors
- Lowe, C. P.
- Venue
- Europhysics Letters (EPL)
- Publisher
- IOP Publishing
- Published
- 1999-07-15
- Volume
- 47
- Issue
- 2
- Pages
- 145-151
- ISSN
- 0295-5075 (ISSN-L)
- 1286-4854
- OpenAlex
- W1987998019
- Cited by
- 307
- References
- 1
- FWCI
- 0.54
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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