First Principles Calculations on Martensitic Transformation and Phase Instability of Ni-Mn-Ga High Temperature Shape Memory Alloys

摘要：

Martensitic transformation and phase instability of Ni8+xMn4Ga4-x high—temperature shape memory alloys have been investigated by first principles calculations using the pseudopotentials plane wave method．The tetragonality (the ratio between the lattice parameter C and a)increases with the increasing of Ni content．The total energy difference between parent and martensite phases plays an important role on the martensitic transformation．The formation energy calculations indicate the instability of Ni-Mn-Ga alloy with extra high Ni content．The density of states of the alloys are discussed．

关键词： Ni-Mn-Ga shape memory alloy Martensitic transformation Formation energy

作者: Jie Chen Yan Li Jiaxiang Shang Huibin Xu

作者单位: School of Material Science and Engineering，Beijing University of Aeronautics and Astronautics，Beijing，100083，China

会议类型: 国际会议

会议名称: The 3rd International Conference of Molecular Simulations and Applied Informatics Technologies(第三届国际分子模拟与信息技术应用学术会议)

会议地点: 杭州

会议语种:英文

页码: 266-276

在线出版日期: 2007-04-01（万方平台首次上网日期，不代表论文的发表时间）