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Issue 4, 1985
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Brownian dynamics with rotation–translation coupling

Abstract

A generalized algorithm is proposed for simulating a system of interacting spherical particles simultaneously executing both rotational and translational Brownian motion. Rotation–translation couplings are obtained numerically for (a) a pair of rigid spheres using the generalized algorithm and (b) a pair of rigid cubic octamer particles using a translational algorithm with rigid constraints. The likely importance of rotation–translation coupling in the Brownian–dynamics context is discussed.

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Article type: Paper
DOI: 10.1039/F29858100591
Citation: J. Chem. Soc., Faraday Trans. 2, 1985,81, 591-601
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    Brownian dynamics with rotation–translation coupling

    E. Dickinson, S. A. Allison and J. A. McCammon, J. Chem. Soc., Faraday Trans. 2, 1985, 81, 591
    DOI: 10.1039/F29858100591

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