The structural response of BCC Fe lattice loaded in [110] direction

✍ Scribed by Jing-Zhou Wang; Jian-Min Zhang; Ke-Wei Xu

• Publisher: John Wiley and Sons
• Year: 2009
• Tongue: English
• Weight: 245 KB
• Volume: 44
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/crat.200800298

✦ Synopsis

The structural response of BCC Fe lattice loaded in [110] direction has been investigated with MAEAM. The results show that, even if an orthorhombic path (b 2 ≠b 3 ) is applied, the deformation is spontaneous along the tetragonal path (b 2 ≡b 3 ) while b 1 is less than 0.3449 nm in compressive region. In addition to the initial BCC phase, a BCT phase and the other BCC phase appear also at stress-free states. The BCT phase with the local maximum internal energy of -4.227 eV is unstable and would slip spontaneously into the appeared BCC phase with the same minimum internal energy of -4.280 eV as the initial BCC phase. The stable region ranges from -43.87 eV/nm 3 to 44.06 eV/nm 3 in the theoretical strength or from -7.34% to 6.49% in the strain correspondingly. Furthermore, the relations B 11 =B 22 , B 13 =B 23 and B 44 =B 55 occur at the initial state.