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本文应用分子动力学(MD)方法和改进分析型嵌入原子模型(MAEAM)研究了Ni,Al和V纳米线的弹性性能尺寸效应及表面对其影响,并计算了相应完整晶格材料的弹性性能.结果表明本文计算完整晶格材料的弹性性能与已有实验和理论的结果相符合.而计算所得各金属纳米线的体模量明显低于相应块体材料的结果,且随纳米线的尺寸增加而呈指数增加,并接近于常数.在此基础上,通过研究Ni,Al和V纳米线表面能的尺寸效应及其分布特征进一步探讨了自由表面在尺寸影响纳米线弹性性能过程中的作用及其内在机理.
In this paper, the molecular dynamics (MD) method and the improved analytic embedded atom model (MAEAM) were used to study the elastic properties of Ni, Al and V nanowires size effect and the influence of the surface, and calculated the elastic properties of the corresponding complete lattice materials The results show that the elastic properties of the complete lattice material are consistent with the experimental and theoretical results, and the calculated bulk modulus of each metal nanowire is significantly lower than that of the corresponding bulk material, Increases and exponentially increases, and approaches the constants.On this basis, the effect of the size of the free surface on the elastic properties of nanowires is further studied by investigating the size effect and distribution characteristics of surface energy of Ni, Al and V nanowires And its internal mechanism.