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  Dissipative particle dynamics: A useful thermostat for equilibrium and nonequilibrium molecular dynamics simulations

Soddemann, T., Dünweg, B., & Kremer, K. (2003). Dissipative particle dynamics: A useful thermostat for equilibrium and nonequilibrium molecular dynamics simulations. Physical Review E, 68(4): 046702.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-633F-4 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-6340-F
Genre: Journal Article

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 Creators:
Soddemann, T.1, Author           
Dünweg, Burkhard1, Author           
Kremer, Kurt1, Author           
Affiliations:
1MPI for Polymer Research, Max Planck Society, ou_1309545              

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 Abstract: We discuss dissipative particle dynamics as a thermostat to molecular dynamics, and highlight some of its virtues: (i) universal applicability irrespective of the interatomic potential; (ii) correct and unscreened reproduction of hydrodynamic correlations; (iii) stabilization of the numerical integration of the equations of motion; and (iv) the avoidance of a profile bias in boundary-driven nonequilibrium simulations of shear flow. Numerical results on a repulsive Lennard-Jones fluid illustrate our arguments.

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Language(s): eng - English
 Dates: 2003
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: eDoc: 49852
Other: P-03-68
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Title: Physical Review E
  Alternative Title : Phys. Rev. E
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 68 (4) Sequence Number: 046702 Start / End Page: - Identifier: -