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Response theory for confined systems

Bernardi, Stefano; Brookes, Sarah J.; Searles, Debra J.; Evans, Denis J.

Description

In this work, we use the transient time correlation function (TTCF) method to evaluate the response of a fluid confined in a nanopore and subjected to shear. The shear is induced by the movement of the boundaries in opposite directions and is made of moving atoms. The viscous heat generated inside the pore is removed by a thermostat applied exclusively to the atomic walls, so as to leave the dynamics of the fluid purely Newtonian. To establish a link with nonlinear response theory and apply the...[Show more]

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
URI: http://hdl.handle.net/1885/38449
Source: The Journal of Chemical Physics
DOI: 10.1063/1.4746121

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