Role of Defects in Compression and Friction of Anchored Hydrocarbon Chains on Diamond
Role of Defects in Compression and Friction of Anchored Hydrocarbon Chains on Diamond
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DOI：
10.1021/la991225u
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发表时间：
2000
期刊：
影响因子：
3.9
通讯作者：
Alan B. Tutein;A. Stuart;J. Harrison
中科院分区：
文献类型：
--
作者：
Alan B. Tutein;A. Stuart;J. Harrison
本文介绍的经典分子动力学模拟研究了由具有8个、13个或22个碳原子的线性烃链组成的单层的压缩和摩擦，所述线性烃链化学结合（或锚定）到金刚石（111）衬底。结构缺陷和它们的形成在压缩，摩擦和能量耗散过程中发挥的作用进行检查。随着载荷的增加，缺陷数量增加，在特定载荷下达到稳定水平。与滑动摩擦相关的能量耗散中也明显涉及缺陷。摩擦被发现是最高的在较短的链和无序的表面，与以前的原子力显微镜研究。
The classical molecular dynamics simulations presented here examine the compression and friction of monolayers composed of linear hydrocarbon chains with 8, 13, or 22 carbon atoms that are chemically bound (or anchored) to a diamond (111) substrate. The roles structural defects and their formation play in compression, friction, and energy dissipation processes are examined. The number of defects increases under increasing load, reaching a plateau at a specified load. Defects are also clearly implicated in the energy dissipation associated with sliding friction. The friction is found to be highest in shorter chains and disordered surfaces, in agreement with previous atomic force microscopy studies.