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The Effect of Lattice Temperature on Abnormal Subgrain Growth Simulations using a Monte Carlo Technique

机译:蒙特卡罗技术对晶格温度对亚晶粒异常生长模拟的影响

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Abnormal subgrain growth occurs in single-phase materials when the structure contains special subgrains that have growth advantage compared to others in their vicinity by virtue of having unique boundary properties such as low energy and high mobility. Monte Carlo simulations of abnormal subgrain growth were carried out for a wide range of such abnormal growth conditions. For a given abnormal growth condition, the simulation results were found to be sensitive to the choice of the lattice temperature used. When the lattice temperature was too low, the growth kinetics and the shape of the abnormal grain was influenced by the lattice geometry. At higher lattice temperatures, the lattice effects were reduced but the simulation results were scattered around the theoretical prediction of the maximum stable size ratio of the abnormal subgrain to the matrix subgrain. Simulations in which the local lattice temperature was scaled according to the relative boundary energy appeared to reduce the scatter associated with constant lattice temperature simulations, but a discrepancy between theory and simulation was noticed, with the simulations predicting consistently lower values than theoretical. Further simulations with larger system sizes are required in order to better understand the mesoscale issues associated with abnormal subgrain growth.
机译:当结构中包含特殊的亚晶粒时,由于其具有独特的边界属性(例如低能量和高迁移率),与之相邻的其他亚晶相比,亚晶生长异常,单相材料中会发生异常的亚晶粒生长。针对各种此类异常生长条件进行了异常亚晶粒生长的蒙特卡洛模拟。对于给定的异常生长条件,发现仿真结果对所用晶格温度的选择很敏感。当晶格温度太低时,生长动力学和异常晶粒的形状受到晶格几何形状的影响。在较高的晶格温度下,晶格效应降低,但模拟结果分散在异常子晶粒与基体子晶粒的最大稳定尺寸比的理论预测周围。根据相对边界能对局部晶格温度进行缩放的模拟似乎可以减少与恒定晶格温度模拟相关的散射,但是注意到理论与模拟之间存在差异,其中模拟预测的数值始终低于理论值。为了更好地理解与异常亚晶粒生长相关的中尺度问题,需要使用更大的系统尺寸进行进一步的仿真。

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