摘要
The addition of early transition metals（ETMs） into Fe-based amorphous alloys is practically found to be effective in reducing the α-Fe grain size in crystallization process. In this paper, by using ab initio molecular dynamics simulations, the mechanism of the effect of two typical ETMs（Nb and W） on nano-crystallization is studied. It is found that the diffusion ability in amorphous alloy is mainly determined by the bonding energy of the atom rather than the size or weight of the atom. The alloying of B dramatically reduces the diffusion ability of the ETM atoms, which prevents the supply of Fe near the grain surface and consequently suppresses the growth of α-Fe grains. Moreover, the difference in grain refining effectiveness between Nb and W could be attributed to the larger bonding energy between Nb and B than that between W and B.
The addition of early transition metals（ETMs） into Fe-based amorphous alloys is practically found to be effective in reducing the α-Fe grain size in crystallization process. In this paper, by using ab initio molecular dynamics simulations, the mechanism of the effect of two typical ETMs（Nb and W） on nano-crystallization is studied. It is found that the diffusion ability in amorphous alloy is mainly determined by the bonding energy of the atom rather than the size or weight of the atom. The alloying of B dramatically reduces the diffusion ability of the ETM atoms, which prevents the supply of Fe near the grain surface and consequently suppresses the growth of α-Fe grains. Moreover, the difference in grain refining effectiveness between Nb and W could be attributed to the larger bonding energy between Nb and B than that between W and B.
作者
汪姚岑
张岩
Yoshiyuki Kawazoe
沈军
曹崇德
Yao-Cen Wang1,2, Yah Zhang3, Yoshiyuki Kawazoe4, Jun Shen5, and Chong-De1,2(1 School of Natural and Applied Sciences, Northwestern Polytechnical University, Xi＇an 710072, China 2Research ＆ Development Institute of Northwestern Polytechnical University in Shenzhen, Shenzhen 518057, China 3 Institute for Materials Research, Tohoku University, Sendal 980-8577, Japan 4New Industry Creation Hatchery Center, Tohoku University, Sendai 980-8577, Japan 5 School of Materials Science and Engineering, Tongji University, Shanghai 201804, China)
基金
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)
the Fundamental Research Funds for Central Universities,China(Grant No.31020170QD102)
