کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1277252 | 1497618 | 2009 | 9 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Atomistic simulations of hydrogen embrittlement Atomistic simulations of hydrogen embrittlement](/preview/png/1277252.png)
It is well known that hydrogen weakens strengths of metals, and this phenomenon is called hydrogen embrittlement. Despite the extensive investigation concerning hydrogen related fractures, the mechanism has not been enough clarified yet. In this study, we applied the molecular dynamics method to the mode I crack growth in α-Fe single crystals with and without hydrogen, and analyzed the hydrogen effects from atomistic viewpoints. We estimated the hydrogen trap energy in the vicinity of an edge dislocation in order to clarify the distribution of hydrogen atoms, using the molecular statics method. We also evaluated the energy barrier for dislocation motion under a low hydrogen concentration. Based on these results, we propose a mechanism for hydrogen embrittlement of α-Fe under monotonic loading.
Journal: International Journal of Hydrogen Energy - Volume 34, Issue 23, December 2009, Pages 9576–9584