Ab initio molecular dynamics simulations of nano-crystallization of Fe-based amorphous alloys with early transition metals*

Project supported by the National Key Research and Development Program of China (Grant No. 2016YFB0300502), the Shenzhen Municipal Fundamental Science and Technology Research Program, China (Grant No. JCYJ20170815162201821), and the Fundamental Research Funds for Central Universities, China (Grant No. 31020170QD102).

Wang Yao-Cen1, 2, †, Zhang Yan3, Kawazoe Yoshiyuki4, Shen Jun5, Cao Chong-De1, 2
       

(color online) Plots of MSD of the element versus simulation time in the amorphous alloys: (a) FeBNb, (b) FeBW, (c) FeCuNb, (d) FeCuW, (e) FeSiNb, (f) FeSiW.