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Configurational temperature for Brownian dynamics

Ennis-King, Jonathan Patrick; Evans, Denis

Description

Expressions for the configurational temperature are evaluated in Brownian dynamics simulations of a Lennard-Jones fluid and compared with the input temperature which is used to generate the random displacements. It is found that the two temperatures agree in the limit of large numbers of particles, and even for moderate system sizes the configurational temperature is a useful check on the correctness of the simulation algorithm. Investigation of the autocorrelation functions shows that for...[Show more]

CollectionsANU Research Publications
Date published: 2001
Type: Journal article
URI: http://hdl.handle.net/1885/92719
Source: Molecular Simulation

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