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.

引用

页码：228 / 231

页数：4

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