First-principles Study of the Martensitic Phase Transformation of TiRh Alloy

摘要：

　　Geometric structures and atomic positions were studied with plane wave pseudo-potential method based on density functional theory for cubic,tetragonal,and monoclinic phases of TiRh alloy.Their phonon dispersion curves were obtained with frozen phonon method at harmonic approximation using density-functional perturbation theory.

关键词： Alloys Martensitic phase transformation Phonon spectra Density functional theory

作者: 司良 姜振益

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: 39-40

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）