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A method for estima...
A method for estimating the interactions in dissipative particle dynamics from particle trajectories
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- Eriksson, A. (author)
- Göteborgs universitet,University of Gothenburg
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- Nilsson Jacobi, Martin, 1972 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Nyström, J. (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Tunström, Kolbjörn, 1974 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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(creator_code:org_t)
- 2009-01-29
- 2009
- English.
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In: Journal of Physics Condensed Matter. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 21:9, s. art. no. 095401-
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Abstract
Subject headings
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- We introduce a method for determining the functional form of the stochastic and dissipative interactions in a dissipative particle dynamics (DPD) model from projected phase space trajectories. The DPD model is viewed as a coarse graining of a detailed dynamics that displays a clear timescale separation. Based on the Mori-Zwanzig projection operator method we derive a consistency equation for the stochastic interaction in DPD. The consistency equation can be solved by an iterative bootstrapping procedure. Combined with standard techniques for estimating the conservative interaction, our method makes it possible to reconstruct all the forces in a coarse-grained DPD model. We demonstrate how the method works by recreating the interactions in a DPD model from its phase space trajectory. Furthermore, we discuss how our method can be used in realistic systems with finite timescale separation.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Publication and Content Type
- art (subject category)
- ref (subject category)
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