Modes of grain growth and mechanism of dislocation reaction under applied biaxial strain: Atomistic and continuum modeling

Ying-Jun Gao¹，Qian-Qian Deng¹，Zhe-yuan Liu¹，Zong-Ji Huang¹，Yi-Xuan Li¹，Zhi-Rong Luo^1,2

1. Guangxi Advanced Key Laboratory of Novel Energy Materials, Guangxi Key Laboratory for the Relativistic Astrophysics, School of Physics Science and Engineering, Guangxi University2. Institute of Physics Science and Engineering Technology, Yulin Normal University

摘 要：The phase field crystal method and Continuum Modeling are applied to study the cooperative dislocation motion of the grain boundary（GB） migration, the manner of the nucleation of the grain and of the grain growth in two dimensions（2 D） under the deviatoric deformation at high temperature. Three types of the nucleation modes of new finding are observed by the phase field crystal simulation: The first mode of the nucleation is generated by the GB splitting into two sub-GBs; the second mode is of the reaction of the sub-GB dislocations, such as, the generation and annihilation of a pair of partial Frank sessile dislocation in 2 D. The process can be considered as the nucleation of dynamic recrystallization; the third mode is caused by two oncoming rows of the dislocations of these sub-GBs, crossing and passing each other to form new gap which is the nucleation place of the new deformed grain. The research is shown that due to the nucleation of different modes the mechanism of the grain growth by means of the sub-GB migration is different, and therefore, the grain growth rates are also different. Under the deviatoric deformation of the applied biaxial strain, the grain growth is faster than that of the grain growth without external applied stress. It is observed that the cooperative dislocation motion of the GB migration under the deviatoric deformation accompanies with local plastic flow and the state of the stress of the system changes sharply.When the system is in the process of recrystallized grain growth, the system energy is in an unstable state due to the release of the strain energy to cause that the reverse movement of the plastic flow occurs. The area growth of the deformed grain is approximately proportional to the strain square and also to the time square. The rule of the time square of the deformed grain growth can also be deduced by establishing the continuum dynamic equation of the biaxial strain-driven migration of the GB. The copper metal is taken as an example of the calculation, and the obtained result is a good agreement with that of the experiment.

关键词：