粉末冶金技术2024，Vol.42Issue(6)：563-572,10.DOI:10.19591/j.cnki.cn11-1974/tf.2023020003
电流辅助烧结Cu原子扩散激活能影响机理第一性原理计算与实验研究
First-principles calculation and experimental study on the influence mechanism of diffusion activation energy of Cu atoms in current-assisted sintering
摘要
Abstract
The effect of the applied electric field on the diffusion activation energy of Cu crystal was studied by the first-principles calculation and current assisted sintering.The results show that the applied electric field and current reduce the difficulty of Cu vacancy generation,but the atomic migration energy is almost unchanged,resulting in a slight decrease in diffusion activation energy after reaching the electric field intensity(current density)threshold(2 V·Å‒1(307.1 A·cm‒2)),and a sharp decrease after exceeding the threshold;finally,after the electric field intensity(current density)reaching 5 V·Å‒1(708.5 A·cm‒2),the vacancy formation energy gradually decreases to 0,the diffusion activation energy drops to the critical value,and the critical value of diffusion activation energy decreases by about 60.2%compared with that of the threshold value.The diffusion activation energy shows a regular decline trend under the action of electric field or current,and the experimental results show a good positive correlation with the first-principle simulation results.关键词
激活能/第一性原理/电流辅助烧结/快速致密化Key words
activation energy/first principle/current-assisted sintering/rapid densification分类
矿业与冶金引用本文复制引用
赵博,张晓敏,赵志鹏,吴琼,高鑫..电流辅助烧结Cu原子扩散激活能影响机理第一性原理计算与实验研究[J].粉末冶金技术,2024,42(6):563-572,10.基金项目
国家自然科学基金面上项目(11872130) （11872130）
国家自然科学基金面上项目(12272065) （12272065）
