Diffusion and retention of hydrogen in vanadium in presence of Ti and Cr: First-principles investigations

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• 作者：Pengbo Zhang^a ; ^c ; ^{zhangpb@dlmu.edu.cn} ; Tingting Zou^b ; Jijun Zhao^c ; Pengfei Zheng^d ; Jiming Chen^d
• 关键词：H retention ; Diffusion ; Vanadium alloys ; First principles
• 刊名：Journal of Nuclear Materials
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：484
• 期：Complete
• 页码：276-282
• 全文大小：2615 K
• 卷排序：484

文摘

Ti enhances H retention by trapping for multiple H atoms in similar with vacancy. H prefers the tetrahedral sites near Ti than other interstitial sites. H diffusion barrier decreases towards Ti, while it increases towards Cr.