dc.contributor.author | He, Gang | |
dc.contributor.author | Hadjiconstantinou, Nicolas G. | |
dc.date.accessioned | 2003-12-14T22:44:47Z | |
dc.date.available | 2003-12-14T22:44:47Z | |
dc.date.issued | 2004-01 | |
dc.identifier.uri | http://hdl.handle.net/1721.1/3886 | |
dc.description.abstract | 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 correction for the fluid-wall interaction. The method is then applied to a molecular dynamic simulation of a spreading droplet. Conparison to simulations using several other previously used methods shows that the long range correction can be significant in some circumstances. | en |
dc.description.sponsorship | Singapore-MIT Alliance (SMA) | en |
dc.format.extent | 122468 bytes | |
dc.format.mimetype | application/pdf | |
dc.language.iso | en_US | |
dc.relation.ispartofseries | High Performance Computation for Engineered Systems (HPCES); | |
dc.subject | wall-fluid interaction | en |
dc.subject | long range correction | en |
dc.subject | molecular dynamic simulation | en |
dc.subject | spreading droplet | en |
dc.title | Long range correction for wall-fluid interaction in molecular dynamic simulations | en |
dc.type | Article | en |