作者
SI Rao, DM Dimiduk, TA Parthasarathy, J El-Awady, C Woodward, MD Uchic
发表日期
2011/11/30
期刊
Acta Materialia
卷号
59
期号
19
页码范围
7135-7144
出版商
Pergamon
简介
The nudged elastic band (NEB) method is used to evaluate activation energies for dislocation intersection cross-slip in face-centered cubic (fcc) nickel and copper, to extend our prior work which used an approximate method. In this work we also extend the study by including Hirth locks (HL) in addition to Lomer–Cottrell locks and glide locks (GL). Using atomistic (molecular statics) simulations with embedded atom potentials we evaluated the activation barrier for a dislocation to transform from fully residing on the glide plane to fully residing on the cross-slip plane when intersecting a 120° forest dislocation in both Ni and Cu. The initial separation between the screw and the intersecting dislocation on the (111) glide plane is varied to find a minimum in the activation energy. The NEB method gives energies that are ∼10% lower than those reported in our prior work. It is estimated that the activation energies for cross …
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