Towards better integrators for dissipative particle dynamics simulations

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 62, Issue 6, 2000, Pages

  Besold, Gerhard ^a   Vattulainen, Ilpo ^a   Karttunen, Mikko ^b   Polson, James M ^c  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^c UNIVERSITY OF PRINCE EDWARD ISLAND   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPRESSIBILITY OF SOLIDS; DIFFUSION IN SOLIDS; FUNCTIONS; INTEGRATION;

DISSIPATIVE PARTICLE DYNAMICS (DPD); VELOCITY-VERLET SCHEME;

HIGH ENERGY PHYSICS;

EID: 0034504155     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.62.R7611     Document Type: Article

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18. As basic units we use the particle mass m, the cut-off length (Formula presented) and the desired equilibrium temperature (Formula presented)
19. I. Vattulainen (unpublished).
20. However, for (Formula presented) the positive and negative deviations of (Formula presented) from 1 accidentally almost cancel each other for both MD-VV and DPD-VV. Self-consistent DPD-VV becomes unstable (no convergence anymore) at (Formula presented) for the density (Formula presented)
21. The coupling constant C has to be chosen with care. For the simulations reported here, we always ensured that the employed values of C did not cause any bias.