中国物理B ›› 1996, Vol. 5 ›› Issue (11): 840-848.doi: 10.1088/1004-423X/5/11/006

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THEORETICAL STRENGTH AND PHASE STABILITY OF Cu AND Ni UNDER [100] UNIAXIAL LOADING

叶亦英1, 蔡军2   

  1. (1)Center of Instrumental Analysis, Wuhan University, Wuhan 430072, China; (2)Department of Physics, Wuhan University, Wuhan 430072, China
  • 收稿日期:1996-04-29 出版日期:1996-11-20 发布日期:1996-11-20

THEORETICAL STRENGTH AND PHASE STABILITY OF Cu AND Ni UNDER [100] UNIAXIAL LOADING

CAI JUN (蔡军)a, YE YI-YING (叶亦英)b   

  1. a Department of Physics, Wuhan University, Wuhan 430072, China; b Center of Instrumental Analysis, Wuhan University, Wuhan 430072, China
  • Received:1996-04-29 Online:1996-11-20 Published:1996-11-20

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摘要： Based on Born's criteria we studied phase stability and theoretical strength of fcc crystals of copper and nickel under [100] uniaxial loading. The calculation was carried out using a simple and completely analytical embedded atom method(EAM) potential proposed by the present authors. For Cu, the calculated value of its theoretical strength (0.33×1011 dyn·cm-2) agrees well with the experimental value (0.30×1011 dyn·cm-2), while the calculated strain (9.76%) is somewhat larger than the experimental one (2.8%). For Ni, its theoretical strength and strain predicted using the EAM potential are found smaller than those predicted using a pair potential. It is worthy to note that unlike previous calculations, in which pair potentials were used and three unstressed fcc, bcc, and fct structures included (for Ni only fcc state is found stable, while for Cu both fcc and bcc states are predicted stable), in present calculations using EAM potential the [100] primary loading path passes through only two zeroes (a stable unstressed fcc structure and an unstable stress-free bcc structure) either for Cu or for Ni.

Abstract: Based on Born's criteria we studied phase stability and theoretical strength of fcc crystals of copper and nickel under [100] uniaxial loading. The calculation was carried out using a simple and completely analytical embedded atom method(EAM) potential proposed by the present authors. For Cu, the calculated value of its theoretical strength (0.33×1011 dyn·cm-2) agrees well with the experimental value (0.30×1011 dyn·cm-2), while the calculated strain (9.76%) is somewhat larger than the experimental one (2.8%). For Ni, its theoretical strength and strain predicted using the EAM potential are found smaller than those predicted using a pair potential. It is worthy to note that unlike previous calculations, in which pair potentials were used and three unstressed fcc, bcc, and fct structures included (for Ni only fcc state is found stable, while for Cu both fcc and bcc states are predicted stable), in present calculations using EAM potential the [100] primary loading path passes through only two zeroes (a stable unstressed fcc structure and an unstable stress-free bcc structure) either for Cu or for Ni.

中图分类号:  (Elasticity and anelasticity, stress-strain relations)

  • 81.40.Jj
62.20.D- (Elasticity)