Energy calculation of Fe (001) twist grain boundary
- 期刊名字:商丘師范學(xué)院學(xué)報
- 文件大?。?/li>
- 論文作者:WANG Yong-ming,WANG Peng-fei
- 作者單位:
- 更新時間:2022-11-28
- 下載次數(shù):次
論文簡介
With modified analytical embedded atom method (MAEAM), the energy of (001) twist grain boundary (GB) has been calculated for metal Fe. The results show that the unrelaxed energy keeps almost constant with twist angle θ except several cusps at some special ∑ boundaries. The GB energies drop significantly after expansion per-pendicular to the boundary. In -boundary translation results in periodic energy variation, but the energy variation is slight.
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