First-principles calculations of solute–vacancy interactions in aluminum

• 作 者: 张莎莎 姚正军 孔祥山 陈良 秦敬玉
• 机 构: CollegeofMaterialsandTechnology,KeyLaboratoryforLiquid–SolidStructuralEvolutionandProcessingofMateri
• 出 处: 中国物理B:英文版
• 发表日期: 2020年6期
• 关键词: first-principles calculations solute-vacancy binding aluminum alloys
• 基金项目: National Natural Science Foundation of China(Grant Nos.51701095 and 51771185),the Natural Science Foundation of Jiangsu Province,China(Grant No.BK20170798).

The interactions of solute atoms with vacancies play a key role in diffusion and precipitation of alloying elements,ultimately influencing the mechanical properties of aluminum alloys.In this study,first-principles calculations are systematically performe