Atomistic simulation of hydrogen-assisted ductile-to-brittle transition in α-iron

详细信息    查看全文

• 作者：Xiao Xing ; Mengshan Yu ; Weixing Chen ; Hao Zhang ; ^{hao.zhang@ualberta.ca}
• 关键词：Hydrogen embrittlement ; Molecular dynamics simulations ; Steel ; Hydrogen diffusion
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：127
• 期：Complete
• 页码：211-221
• 全文大小：4182 K
• 卷排序：127

文摘

Molecular dynamics simulations were performed to study H embrittlement in α-Fe. Critical H concentration causing ductile-to-brittle (DTB) transition was estimated. Cyclic loading with minor cycles could accumulate H, and lead to DTB transition. A theoretical model was developed to estimate H accumulation in plastic zone. The predicted value shows good agreement with experimental result.