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总览 评价 龙述尧 * ， 曾塬 （ 湖南大学汽车先进设计和制造技术国家重点实验室； ） 摘要： 本文采用分子动力学研究了无缺陷和有缺陷的硅纳米丝的拉伸力学性能，得到其应力-应变曲线，发现其曲线具有类金属特性，并会出现颈缩现象；当硅纳米丝存在缺陷时，
龙述尧*， 曾塬
（
湖南大学汽车先进设计和制造技术国家重点实验室； ）
摘要：
本文采用分子动力学研究了无缺陷和有缺陷的硅纳米丝的拉伸力学性能，得到其应力-应变曲线，发现其曲线具有类金属特性，并会出现颈缩现象；当硅纳米丝存在缺陷时，屈服强度减小为无缺陷时的79％；且容易形成单个晶胞被拉伸现象。研究表明，温度对硅纳米丝的屈服强度有显著影响，温度升高会大大降低硅纳米丝的屈服强度。
关键词：
固体力学；分子动力学；硅纳米丝；Tersoff势；应力-应变曲线
Long Shuyao*， Zeng Yuan
（
State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University； ）
Abstract：
The tensional properties of the defectless and defective silicon nano-wire are studied by the molecular dynamics (MD) method, and their stress-train curves are obtained in this paper. It is seen from their stess-strain curves that the silicon nano-wire have the similar properties to the metal, e.g. the necking phenomenon happens during the tension. When the defects exist, the yield stress would decrease to 79％ that of the defectless cases, and the phenomenon of single tension cell is easy to appear. The study shows that the temperature has significant effect on the yeild stress, which will be greatly reduced as the temperature increased.
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