کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5456648 | 1514666 | 2016 | 20 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomistic insights into shear-coupled grain boundary migration in bcc tungsten
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
Shear-coupled grain boundary (GB) migration is an efficacious plasticity mechanism in nanocrystalline materials. However, the atomistic aspects of this kind of GB motion have received far less attention in bcc metals than that in fcc ones. In this work, we have investigated the shear-coupled migration (SCM) of â13[100](015¯) and â85[100](076¯) GBs in bcc tungsten using atomistic simulations. We demonstrate that the SCM of the two GBs proceeds via the collective glide of GB dislocations along the ã100ã and ã111ã directions, respectively. The magnitudes of the GB migration depend on system lateral dimension, temperature and GB dislocation character. Nudged elastic band calculations in combination with the dynamic simulations give the elementary processes of the SCM and show that the shear strength and thermal resistance of the ã100ã mode GB is much higher than the ã111ã one, consistent with the fact that the ã100ã dislocations are much more difficult to glide than the 1/2ã111ã dislocations. This conclusion is further supported by the simulation results of GB random walk behavior under the free boundary condition. The present results demonstrate that the atomistic SCM process is fundamentally related to the character of GB dislocations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Science and Engineering: A - Volume 677, 20 November 2016, Pages 20-28
Journal: Materials Science and Engineering: A - Volume 677, 20 November 2016, Pages 20-28
نویسندگان
Liang-Liang Niu, Xiaolin Shu, Ying Zhang, Fei Gao, Shuo Jin, Hong-Bo Zhou, Guang-Hong Lu,