Brownian dynamics algorithm for entangled wormlike threads

Shriram Ramanathan, David C. Morse

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

The authors present a hybrid Brownian dynamics/Monte Carlo algorithm for simulating solutions of highly entangled semiflexible polymers or filaments. The algorithm combines a Brownian dynamics time-stepping approach with an efficient scheme for rejecting moves that cause chains to cross or that lead to excluded volume overlaps. The algorithm allows simulation of the limit of infinitely thin but uncrossable threads, and is suitable for simulating the conditions obtained in experiments on solutions of long actin protein filaments.

Original languageEnglish (US)
Article number094906
JournalJournal of Chemical Physics
Volume126
Issue number9
DOIs
StatePublished - 2007

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