基于镶嵌原子法描述金属晶体原子间作用,分别以α-Fe和Ni为例,采用分子动力学方法研究了面心立方晶格(FCC)和体心立方晶格(BCC)纳米金属丝单向拉伸过程的力学行为和性能.分析了纳米尺度下两种典型金属丝的拉伸变形破坏过程和纳米晶体破坏过程中的本构关系,讨论了自由表面对纳米材料力学行为和性能的影响.研究得到两种纳米金属丝的弹性模量、屈服强度和断裂强度.BCC金属纳米丝由于比表面积更大,拉伸屈服阶段比FCC金属更明显,初始应力更高,表面效应对初始弹性模量的软化作用更大.
参考文献
| [1] | P. Zhang;H. Jiang;Y. Huang;P.H. Geubelle;K.C. Hwang .An atomistic-based continuum theory for carbon nanotubes: analysis of fracture nucleation[J].Journal of the Mechanics and Physics of Solids,2004(5):977-998. |
| [2] | Lu L;Shen Y;Chen X et al.Ultrahigh strength and high electric conductivity in copper[J].Science,2004,304:422-426. |
| [3] | Bahr D F;Kranmer D E;Gerberich W W .Nonlinear deformation mechanisms during nanoindentation[J].Acta Materialia,1998,46:3605-3617. |
| [4] | 黄丹,陶伟明,郭乙木.分子动力学模拟单晶纳米铝丝的拉伸破坏[J].兵器材料科学与工程,2005(03):1-4. |
| [5] | Huiqing Lan;Siwei Zhang .Molecular dynamics simulation on nanotribological properties of molecular deposition film during the scan process[J].Tribology International,2004(8):661-665. |
| [6] | 马新玲,杨卫.MD SIMULATION FOR NANOCRYSTALS[J].力学学报(英文版),2003(06):485-507. |
| [7] | Baskes M I .Modified embedded-atom potentials for cubic ma terials and impurities[J].Physical Review B,1992,46:2727-2742. |
| [8] | Hoover W G.Molecular dynamics[M].Berlin:Springer-Verlag,1986 |
| [9] | Parrinello M;Rahman A .Polymorphic transitions in single crystals:a new molecular dynamics method[J].Journal of Applied Physics,1981,52(12):7182-7190. |
| [10] | Voter A F;Chen S P .Accurate interatomic potentials for Ni,Al,and Ni3A1[J].Materials Research Society Symposium Proceedings,1987,82:175-182. |
| [11] | Ackland GJ;Mendelev MI;Srolovitz DJ;Han S;Barashev AV .Development of an interatomic potential for phosphorus impurities in alpha-iron[J].Journal of Physics. Condensed Matter,2004(27):S2629-S2642. |
| [12] | 梁海弋 .纳米铜力学行为的分子动力学模拟[D].中国科学技术大学,2001. |
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