Phase field crystal simulation of grain boundary movement and dislocation reaction

Abstract

The phase field crystal (PFC) model is used to simulate the premelting dislocation movement of the symmetric tilt grain boundary (STGB) under strain action when the system temperature is at far from the melting point and close to the melting point, respectively. The results show a local premelting occurs surrounding the dislocations as the premelting temperature is approached to from below temperature. The premelting dislocations of the STGB can glide under strain action, and the premelting region is a companion for dislocation gliding. The process of STGB decay is very similar at the two high temperature conditions. As premelting presents, it diminishes the gliding resistance for the dislocations and leads to a faster movement of dislocations, and also brings about more energy reduction of the system during the decay process of STGB. In spite of applying strain to these premelting samples in whole decay processes of STGB, the premelting dislocation region does not obviously develop and extend. This indicates that the external strain action does not promote the premelting at the high temperature, and cannot induce more premelting dislocation, which can be owed to the premelting phase around the dislocation exhibit fluid-like properties and to the premelting dislocation easily gliding and relaxing the strain energy; this is in agreement with the results of experiments and molecular dynamics.

Keywords

phase field crystal (PFC) model / grain boundary (GB) / premelting dislocation / strain

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grant No. 51161003), the Natural Science Foundation of Guangxi Province (Grant No. 2012GXNSFDA053001) and Ministry-Province Jointly-Constructed Cultivation Base for State Key Laboratory of Processing for Non-Ferrous Metal and Featured Materials, Guangxi Zhuang Autonomous Region (Grant No. GXKFJ12-01).

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2014 Higher Education Press and Springer-Verlag Berlin Heidelberg