Effect of Interface on the Deformation of Aluminium Bicrystal: Atomistic Simulation Study

SH Yan and BB Xing and QH Qin, 2016 INTERNATIONAL CONFERENCE ON DESIGN, MECHANICAL AND MATERIAL ENGINEERING (D2ME 2016), 82, UNSP 02010 (2016).

DOI: 10.1051/matecconf/20168202010

Molecular dynamic (MD) simulation has been conducted to study the effect of interface structure on the mechanical response of eight <110> symmetric tilt grain boundaries in high stacking-fault Al. It is found that the grain boundaries with E structure unit (SU) have higher energy, but the grain boundary energy alone cannot be used as a parameter to determine the mechanical properties of grain boundary. The SUs, especially E units, do have an influence on the mechanical response of grain boundaries. Our results show that the dislocation imitates from E units preferably, but this depends on the dissociation at grain boundary.

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