Analysis of interaction between dislocation and interface of aluminum matrix/second phase from electronic behavior

作     者：Qianxing Yin Guoqing Chen Xi Shu Binggang Zhang Chun Li Zhibo Dong Jian Cao Rong An Yongxian Huang Qianxing Yin;Guoqing Chen;Xi Shu;Binggang Zhang;Chun Li;Zhibo Dong;Jian Cao;Rong An;Yongxian Huang

作者机构：State Key Laboratory of Advanced Welding and JoiningHarbin Institute of TechnologyHarbin 150001China 

出 版 物：《Journal of Materials Science & Technology》 (材料科学技术（英文版）)

年 卷 期：2023年第136卷第5期

页      面：78-90页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0806[工学-冶金工程] 0804[工学-仪器科学与技术] 0703[理学-化学] 0702[理学-物理学] 

基　　金：This work was financially supported by the National Natural Science Foundation of China(No.51774106). 

主　　题：Dislocations Microstructural interface Aluminum alloy Electron transport First-principles calculation 

摘      要：The inhibitory effect of the second phase on dislocation movement has long been deemed as a great con-tribution to the strengthening of alloys.We investigate the electronic behavior at theα-Al matrix/second phase interface to explore its inhibitory effect on dislocation movement.This work focuses on the dif-ficulty in dislocation movement on the interface ofα-Al/Al_(3)Sc,α-Al/θ’(Al_(2)Cu),andα-Al/T_(1)(Al_(2)CuLi)of aluminum-lithium-scandium alloy based on detailed transmission electron microscopy investigation and electron transport calculation.The more drastic the electron transport between two atoms at the inter-face,the more intense the interaction between them,corresponding to the larger difficulty in breaking and forming bonds between them during the movement process of the extra half plane of dislocation on the interface.The calculated difference in density of valence electrons and differential charge density atα-Al/second phase interface reveals that Al_(3)Sc is characterized by the largest resistance to dislocation movement compared toθ’(Al_(2)Cu)and T_(1)(Al_(2)CuLi).The large differential charge density between the in-terface of(100)Al_(3)Sc/(100)Al demonstrates the strong bonds betweenα-Al and Al_(3)Sc and the large difficulty for the extra half plane of dislocation to form or break bonds during the movement process atα-Al/Al_(3)Sc interface.The dislocation pile-up indicates a discernible hindering effect of theα-Al/Al_(3)Sc interface on dislocation movement.The hindering effect presented byα-Al/Al_(3)Sc interface is favorable for the tensile strength.