摘要
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 Σ boundaries.The GB energies drop significantly after expansion perpendicular to the boundary.In-boundary translation results in periodic energy variation,but the energy variation is slight.
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 0 except several cusps at some special ∑ boundaries. The GB energies drop significantly after expansion perpendicular to the boundary. In - boundary translation results in periodic energy variation, but the energy variation is slight.
出处
《商丘师范学院学报》
CAS
2009年第3期63-68,共6页
Journal of Shangqiu Normal University
基金
Supported by National Natural Science Foundation of China(50271038)
