Simulations of lubricants between aluminum surfaces: From quantum chemistry to continuum models

机译：铝表面之间的润滑剂模拟：从量子化学到连续模型

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A methodology to construct atomistic model potentials for use in tribological simulations was presented and employed to model the non-bonded interaction between oelfin molecules and aluminum substrates. The validity and reliability of the employed fitting procedure as well as the fitted non-bonded force field was confirmed by subsequent tribological simulations and and the further mapping onto continuum models. Testing the obtained parameterization of the continuum models for complex surface geometries is ongoing.

机译：提出了一种构建用于摩擦学仿真的原子模型势能的方法，并将其用于模拟烯烃分子与铝基底之间的非键相互作用。随后的摩擦学模拟以及进一步映射到连续模型上，证实了所采用的拟合程序以及所拟合的非粘结力场的有效性和可靠性。正在测试针对复杂表面几何形状的连续模型的参数化。

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来源
《Society of Tribologists and Lubrication Engineers annual meeting amp; exhibition 2009》|2009年|P.189-192|共4页
会议地点 Lake Buena Vista FL(US)
作者
L.T. Kong; C. Denniston; M. H. Mueser;
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作者单位

Dept. Applied Math., University of Western Ontario, London, Ontario, Canada N6A 5B7;

rnDept. Applied Math., University of Western Ontario, London, Ontario, Canada N6A 5B7;

rnDept. Applied Math., University of Western Ontario, London, Ontario, Canada N6A 5B7;

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原文格式 PDF
正文语种 eng
中图分类机械摩擦、磨损与润滑;
关键词
nanotribology; dynamic modelling; olefin; aluminum;

机译：纳米摩擦学动态建模烯烃铝;

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Simulations of lubricants between aluminum surfaces: From quantum chemistry to continuum models

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