Static energy calculations of stress-strain behavior of self-assembled monolayers

被引：22

作者：

Henda, R ^{[1
]}

Grunze, M ^{[1
]}

Pertsin, AJ ^{[1
]}

机构：

[1] Univ Heidelberg, D-69120 Heidelberg, Germany

来源：

TRIBOLOGY LETTERS | 1998年 / 5卷 / 2-3期

关键词：

static energy calculations; self-assembled monolayers; stress-strain behavior;

D O I：

10.1023/A:1019141708230

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

The mechanical response of alkanethiol/Au(111) self-assembled monolayers to normal stress is simulated using the static energy minimization technique. The calculation results are discussed in terms of stress-induced structural changes, stress-strain relationships and Young's moduli. The dependence of the calculated elastic properties on the monolayer configuration, force field, and chain length is examined.

引用

页码：191 / 195

页数：5

共 25 条

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