| Autor: |
Wu, Minghui, Zhang, Xiaoxun, Ma, Fang, Li, Jiayi, Tian, Wenqi, Gongcheng, Meiqi, Xu, Luyang, Chang, Gaoyuan, Zhang, Cheng |
| Zdroj: |
Crystal Research & Technology; Jun2022, Vol. 57 Issue 6, p1-13, 13p |
| Abstrakt: |
In this article, molecular dynamics simulation is used to primarily explore the lattice matching problem of solute atoms in different configurations after entering the Fe lattice at 0 K temperature. It reveals that by changing the initial configurations, metal solute atoms (Cr, Cu, Ti, Al) are more stable in the <110> configuration while C atom tends to stay in the octahedral gap of the BCC lattice. In addition, the matching mechanisms of different solute atoms in BCC Fe lattice in different configurations are elaborated in detail. The relaxation of metal solute atoms in different configurations eventually forms different stable structures while C atoms only exist in the nearest‐neighbor octahedral gap of the BCC Fe lattice in each configuration. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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