On the abnormal fast diffusion of solute atoms inα-Ti:A first-principles investigation

摘要：

Solute atoms such as Fe,Co,and Ni diffuse abnormally fast in α-Ti,which influences significantly themechanical properties of the titanium alloys.Various mechanisms (e.g.,the interstitial diffusion mechanismand solute-vacancy complex mechanism) have been proposed to account for the fast diffusion ofthese solutes in α-Ti.To elucidate such diffusion mechanism,a first-principles method is employed tocalculate the formation energies,migration energy barriers,and solute-vacancy binding energies of thesubstitutional and interstitial solute atoms including Al,Si,Sn,V,Mn,Fe,Co,Ni,and Cu in α-Ti.

作者: Lian-Ji Zhang Zi-Yong Chen Qing-Miao Hua Rui Yang

作者单位: Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sc College of Material Science and Engineering,Beijing University of Technology,Pingguoyuan Road 100,Be Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sc

会议类型: 国内会议

会议名称: 第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018)

会议地点: 太原

会议语种:英文

页码: 234-234

在线出版日期: 2018-05-01（万方平台首次上网日期，不代表论文的发表时间）