Effect of Temperature on Migration Behavior of <111> Symmetric Tilt Grain Boundaries in Pure Aluminum Based on Molecular Dynamics Simulations
Received date: 2020-12-28
Revised date: 2021-04-02
Online published: 2021-05-20
Supported by
National Natural Science Foundation of China(51271204);High Performance Computing Center of Central South University
The migration behavior of <111> symmetric tilt grain boundaries (GBs) having different misorientation angles was simulated using a molecular dynamics synthetic driving force method. The effect of temperature on the migration behavior was investigated in the temperature range of 300-800 K. The results demonstrated that the temperature dependencies of GB migration varied with the misorientation. GBs with a misorientation of 8.61°-21.79° exhibited antithermally activated migration, whereas those with a misorientation of 38.21°-60° exhibited thermally activated migration. For the GBs having a misorientation of 27.80°-32.20°, there was an apparent transition from thermally activated migration at low temperature to antithermally activated migration at high temperature. The mobility of the GBs having a misorientation of 8.61°-21.79° was much higher than that of other GBs, but the differences between them decreased with increasing temperature. The GB structures at different temperatures can be well described using the structural unit model. GBs with structures consisting of similar types of structural units exhibit comparable temperature dependencies in their mobility. The complex temperature dependencies of migration behavior shown by some GBs appear to be related to structural changes featured by the transformation between variants belonging to the same type of structural units.
Key words： grain boundary; mobility; temperature dependency; molecular dynamics
Haiyong LI , Saiyi LI . Effect of Temperature on Migration Behavior of <111> Symmetric Tilt Grain Boundaries in Pure Aluminum Based on Molecular Dynamics Simulations[J]. Acta Metall Sin, 2022 , 58(2) : 250 -256 . DOI: 10.11900/0412.1961.2020.00527
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