Mechanical properties of carbon nanotubes. Molecular dynamics study

机译：碳纳米管的机械性能。分子动力学研究

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In this contribution, we report on a study of the mechanical properties of carbon nanotubes. We have developed a rather simple molecular dynamics model of charges at bonds which takes into account the electronic and atomic degrees of freedom, and which can be implemented using a personal computer. Our approach has the possibility of studying the excited states formed by electronic transitions and to investigate both subsystems, atomic and electronic, simultaneously. We observed structure changes of carbon nanotubes during deformation as well as stress-strain diagrams at low and high temperatures.

机译：在这项贡献中，我们报告了对碳纳米管力学性能的研究。我们已经开发了一个相当简单的键电荷分子动力学模型，该模型考虑了电子和原子的自由度，可以使用个人计算机来实现。我们的方法有可能研究由电子跃迁形成的激发态，并同时研究原子和电子两个子系统。我们观察到碳纳米管在变形过程中的结构变化以及在低温和高温下的应力-应变图。

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《Nondestructive Testing and Computer Simulations in Science and Engineering》|2004年|p.103-108|共6页
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Dimitri A. Kornilov; Alexander I. Melker;
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中图分类一般工业技术;
关键词
carbon nanotube; charges at bonds model; molecular dynamics; stress-strain diagram;

机译：碳纳米管;键合电荷;分子动力学;应力-应变图;

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Mechanical properties of carbon nanotubes. Molecular dynamics study

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