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北美退伍军人节(Veterans Day),12 日无更新
arXiv 0909.5215cond-mat.mtrl-sci
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低速摩擦滑动的加速分子动力学模拟

Accelerated molecular dynamics simulation of low-velocity frictional sliding

Woo Kyun Kim, Michael L. Falk

摘要:

加速分子动力学(MD)模拟实现的AFM实验中发现的速度接近的滑动过程。在这项研究中,超动力学方法,最初设计用于扩展MD时间尺度的非驱动系统,适用于摩擦滑动系统。这种技术结合了一个并行算法,同时模拟系统的滑块位置的范围。使用2维和3维Lennard-Jones AFM模型的新方法进行测试。与传统MD的结果直接比较表明,验证方法的密切协议。

英文摘要:

Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time scales for non-driven systems, is applied to the frictional sliding system. This technique is combined with a parallel algorithm that simultaneously simulates the system over a range of slider positions. The new methodologies are tested using 2-dimensional and 3-dimensional Lennard-Jones AFM models. Direct comparison with the results from conventional MD shows close agreement validating the methods.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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