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http://dspace.mediu.edu.my:8181/xmlui/handle/1721.1/3886| Title: | Long range correction for wall-fluid interaction in molecular dynamic simulations |
| Keywords: | wall-fluid interaction long range correction molecular dynamic simulation spreading droplet |
| Issue Date: | 9-Oct-2013 |
| Description: | 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. Singapore-MIT Alliance (SMA) |
| URI: | http://koha.mediu.edu.my:8181/xmlui/handle/1721 |
| Other Identifiers: | http://hdl.handle.net/1721.1/3886 |
| Appears in Collections: | MIT Items |
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