Microscopic phase field study on the site preference of Al in Ni3V: coordination geometry effect

摘要：

Microscopic phase field study on the site preference of Al in Ni3V: coordination geometry effect Zhang Ming-Yi a, Chen Zhengb, Fan Xiao-Lic, Wang Yong-Xind and Lu Yan-Lie State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an, Shaanxi province 710072, China [e-mail], [e-mail], cxlfan@ nwpu.edu.cn, dyongixin@ nwpu.edu.cn, eluyanli@ nwpu.edu.cn site occupation; coordination geometry; microscopic phase-field model; Ni3V (DO22). The site occupation behavior of Al in Ni3V phase with a DO22 structure in Ni75AlxV25-x alloy was studied using the microscopic phase-field model which is based on the microscopic diffusion equations. Attribute to the coordination geometry effects, the concentration of Al are non-equal on the two non-equivalent Ni sites, and Al prefers to occupy the NiI sites. However, the Al does not prefer to occupy both of the two Ni sites, because the Al concentration on V site is intermediately between that on NiI and NiII site. The calculated ordering energies suggest that the site preference of alloying elements are all energetic favorable.

关键词： site occupation coordination geometry microscopic phase-field model Ni3V (DO22)

作者: Zhang Ming-Yi Chen Zheng Fan Xiao-Li Wang Yong-Xin Lu Yan-Li

作者单位: State Key Laboratory of Solidification Processing, Northwestern Polytechnical University,Xi’an, Shaa State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an, Sha

会议类型: 国际会议

会议名称: 11th IUMRS International Conference in Asia(第十一届国际材联亚洲材料大会 IUMRS-ICA 2010)

会议地点: 青岛

会议语种:英文

页码: 149-153

在线出版日期: 2010-09-25（万方平台首次上网日期，不代表论文的发表时间）