把MAEAM与Milstein改进的Born力学稳定性判据相结合,讨论了fcc晶体Ag在单轴裁荷下的力学稳定性和理论强度.结果表明,在压缩过程中,晶体结构首先转变为无应力不稳定的bcc相,随后通过消耗内能自发地转变为另一个无应力的bct亚稳相.计算的bcc和fcc相的结构能量差与实验值很符合,其力学稳定性范围为-2.076~4.390GPa,相应的应变范围为-7.972%~8.672%.
参考文献
[1] | Wang JH.;Yip S.;Phillpot S.;Wolf D.;Li J. .MECHANICAL INSTABILITIES OF HOMOGENEOUS CRYSTALS[J].Physical Review.B.Condensed Matter,1995(17):12627-12635. |
[2] | Pokluda J;Cerny M;Smdera P et al.Calculations of theoretical strength:State of the art and history[J].J Cornput-Aided Mater,2004,11:1. |
[3] | Brenner S S .Tensile strength of whiskers[J].Journal of Applied Physics,1956,27(12):1484. |
[4] | Kobayashi H;Hiki Y .Anharmonicity in noble metals:Nonlinear elasticity in whiskers[J].Physical Review B:Condensed Matter,1973,7(02):594. |
[5] | Krenn CR.;Roundy D.;Cohen ML.;Chrzan DC.;Morris JW. .Connecting atomistic and experimental estimates of ideal strength - art. no. 134111[J].Physical Review.B.Condensed Matter,2002(13):4111-0. |
[6] | Milstein F .Theoretical strength of a perfect crystal[J].Physical Review B:Condensed Matter,1971,3(03):1130. |
[7] | 蔡军,陈国良,方正知.晶格的力学稳定性研究[J].物理学报,1995(06):977-986. |
[8] | Cerny;M Sob;Pokloda J et al.Ab intio calculation of ideal tensile strength and mechanical stability in Copper[J].Journal of Physics:Condensed Matter,2004,16:1045. |
[9] | Sob M;Wang L G;Vitek V .The role of higher-symmetry phases in anisotropy of theoretical tensile strength of metals and intermetallics[J].Philosophical Magazine A:Physics of Condensed Matter:Structure,Defects and Mechanical Properties,1998,78(5-6):653. |
[10] | Li T S;Morris Jr J W;Chrzan D C .Ideal tensile strength of E2 transition-metal aluminides[J].Physical Review B:Condensed Matter,2004,70(05):054107. |
[11] | Tang M J;Yip S .Atomic size effects in pressure-induced amorphizatiun of a binary covalent lattice[J].Physical Review Letters,1995,75(14):2738. |
[12] | Zhang JM;Yang Y;Xu KW;Ji V .Theoretical strength and structural response of Cu crystal[J].Computational Materials Science,2008(4):917-923. |
[13] | Li HT;Zhang JM;Xu KW .Stability of BCC transition metals under hydrostatic loading[J].Materials Science & Engineering, A. Structural Materials: Properties, Misrostructure and Processing,2008(1/2):627-631. |
[14] | Fang F;Shu X L;Deng H Q et al.Modified analytic EAM potentials for the binary immiscible alloy systems[J].Materials Science and Engineering A:Structural Materials Properties Microstructure and Processing,2003,355(1-2):357. |
[15] | Zhang Jian-Min,Zhang Yan,Xu Ke-Wei.Internal stress and yield strength of copper films on substrates[J].中国物理(英文版),2005(05):1006-1010. |
[16] | Baskes M I;Melius C F .Pair potentials for foe metals[J].Physical Review B:Condensed Matter,1979,20(08):3197. |
[17] | Brandes E A;Brook G B.Smithells metals reference book[M].Oxford:Butterworth-Heinemann,1992:15. |
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