Long range correction for wall-fluid interaction in molecular dynamic simulations
A new method is proposed for correctly modeling the long range interaction between a fluid and a bounding wall in atomistic simulations. This method incorporates the molecular structure of the solid substrate while allowing for a finite interaction cutoff by making a proper estimation of long range...
Main Authors: | He, Gang, Hadjiconstantinou, Nicolas G. |
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Format: | Article |
Language: | en_US |
Published: |
2003
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Subjects: | |
Online Access: | http://hdl.handle.net/1721.1/3886 |
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