Correspondence between configurational temperature and molecular kinetic temperature thermostats
Molecular fluids undergoing shear flow are often modeled using a homogeneous nonequilibrium molecular dynamics algorithm. To reach a steady state, this method must be used in conjunction with a thermostating mechanism which duplicates the heat dissipation in the experimental setup (e.g., by conduction to the shearing boundaries). The most commonly used type of thermostat involves fixing the center of mass kinetic (c.m.) temperature. Though perfectly valid, this approach does not seem to be the...[Show more]
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Delhommelle_Correspondence_between_2002.pdf||400.54 kB||Adobe PDF|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.