Brownian dynamics with rotation–translation coupling
Dickinson, Eric; Allison, Stuart A.; McCammon, J. Andrew
Журнал:
Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
Дата:
1985
Аннотация:
A generalized algorithm is proposed for simulating a system of interacting spherical particles simultaneously executing both rotational and translational Brownian motion. Rotationâ 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 rotationâ translation coupling in the Brownianâ dynamics context is discussed.
800.7Кб