Structural,mechanical and thermodynamic properties of Co3(M,W)(M =Al,Ge,Ga) precipitates from first principles

摘要：

　　The electronic,mechanical properties of Co3(M,W) (M =Al,Ge,Ga) compounds have been investigated by means of generalized gradient approximation calculations.The calculated lattice constants and formation enthalpy are in good agreement with the available experimental results.The calculated electronic density of states of Co3(M,W) compounds indicates that they are electrical conductor and in a ferromagnetic state.The elastic constants,bulk modulus,shear modulus,Young”s modulus and Poisson”s ratio of Co3(M,W)compounds are investigated and the theoretical values are in consistent with the experiment results.

关键词： First-principles Co-based superalloy Electronic structure Mechanical behaviors Thermodynamic properties

作者: W.W. Xu J.J. Han Y. Wang C.P. Wang Z.K. Liu X.J. Liu

作者单位: Department of Materials Science and Engineering,College of Materials,and Research Center of Material Department of Materials Science and Engineering,Pennsylvania State University,University Park,Pennsy

会议类型: 国内会议

会议名称: 第十六届全国相图学术会议暨相图与材料设计国际研讨会

会议地点: 常州

会议语种:英文

页码: 75-75

在线出版日期: 2012-10-19（万方平台首次上网日期，不代表论文的发表时间）