Molecular dynamics simulations of the adsorption of single chains on surfaces

被引：0
|
作者：
Michel, A [1 ]
Kreitmeier, S [1 ]
Wunderlich, B [1 ]
机构：
[1] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA
来源：
COMPUTER SIMULATION STUDIES IN CONDENSED-MATTER PHYSICS XII | 2000年 / 85卷
关键词：
D O I：
暂无
中图分类号：
TP31 [计算机软件];
学科分类号：
081202 ; 0835 ;
摘要：
Simulations of the adsorption behavior of single polymer chains on surfaces by means of isothermal molecular dynamics have been done. For the drain we are using a united atom model with stretching (two particle), bending (three particle) and dihedral (four particle) as well as a nonbonded interaction between nonadjacent atoms. The surface is given by a Lenard-Jones potential which represents in a first attempt a plain attractive surface. The shape of the experimentally generated and investigated single chains are compared to simulated conformations. Cristallisation effects in two dimensions have been found.
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页码：228 / 231
页数：4
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