| dc.creator |
He, Gang |
|
| dc.creator |
Hadjiconstantinou, Nicolas G. |
|
| dc.date |
2003-12-14T22:44:47Z |
|
| dc.date |
2003-12-14T22:44:47Z |
|
| dc.date |
2004-01 |
|
| dc.date.accessioned |
2013-10-09T02:32:58Z |
|
| dc.date.available |
2013-10-09T02:32:58Z |
|
| dc.date.issued |
2013-10-09 |
|
| dc.identifier |
http://hdl.handle.net/1721.1/3886 |
|
| dc.identifier.uri |
http://koha.mediu.edu.my:8181/xmlui/handle/1721 |
|
| dc.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. |
|
| dc.description |
Singapore-MIT Alliance (SMA) |
|
| dc.format |
122468 bytes |
|
| dc.format |
application/pdf |
|
| dc.language |
en_US |
|
| dc.relation |
High Performance Computation for Engineered Systems (HPCES); |
|
| dc.subject |
wall-fluid interaction |
|
| dc.subject |
long range correction |
|
| dc.subject |
molecular dynamic simulation |
|
| dc.subject |
spreading droplet |
|
| dc.title |
Long range correction for wall-fluid interaction in molecular dynamic simulations |
|
| dc.type |
Article |
|