推导出了金属纳米晶界的基本热力学函数,模拟计算了金属纳米晶界的吉布斯自由能随晶界过剩体积和温度的变化规律.以铜纳米晶材料为例,应用纳米晶热力学模型预测了纳米晶组织的热稳定性及纳米晶粒长大行为.将纳米晶界的热力学函数引入元胞自动机仿真算法,利用计算机模拟研究了金属纳米晶的变温晶粒长大过程.实验证实铜纳米晶粒长大的动力学特征符合纳米晶热力学模型的计算预测结果.
The fundamental thermodynamic functions of nanograin boundaries in nanocrystalline metal were derived. The Gibbs free energy as a function of the excess volume and the temperature of the nanograin boundary was simulated and calculated. Using nanocrystalline Cu as an example, the thermodynamic stability and the nanograin growth behavior of nanocrystalline microstructure were predicted by the nanocrystalline thermodynamic model. The thermodynamic functions of nanograin boundaries were introduced into the Cellular Automation algorithm, and the temperature-varying nanograin growth process of nanocrystalline Cu was simulated. The kinetics features of the nanograin growth of the nanocrystalline Cu confirm the predictions from the thermodynamic model.
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