太原理工大学学报

2019, v.50;No.225(05) 568-571

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基于非高斯参数研究不同成分的Cu-Zr合金动力学不均匀性
Dynamic Heterogeneity of Cu-Zr Alloy with Different Composition Based on Non-Gaussian Parameter

幸晓凤;孙永丽;王智聪;
XING Xiaofeng;SUN Yongli;WANG Zhicong;College of Physics and Optoelectronics, Taiyuan University of Technology;

摘要(Abstract):

利用分子动力学模拟技术,模拟了3种不同成分Cu-Zr合金的玻璃转变过程,利用不同温度下非高斯参数的变化来表示成分变化对Cu-Zr合金体系的动力学不均匀性的影响。经研究发现,三种不同成分的Cu-Zr合金的非高斯参数在β弛豫阶段与时间满足幂律函数,同时低温下非高斯参数峰值α_(max)随温度的变化符合Arrhenius函数,高温下偏离Arrhenius函数,而且两函数中的参数数值接近。结果表明,Cu-Zr合金成分变化对非高斯参数影响很小,即Cu-Zr合金体系的动力学不均匀性受成分变化的影响较小。
The molecular dynamics simulation technique was used to simulate the glass transition process of Cu-Zr alloy with three different compositions. The variation of non-Gaussian parameter at different temperatures was used to express the influence of composition changes in the dynamic heterogeneity of Cu-Zr alloy system. It was found that the non-Gaussian parameter of three different compositions of Cu-Zr alloy satisfies the power law function in β relaxation with time, and the peak values of non-Gaussian parameter α_(max) changes with temperatures at low temperature according to the Arrhenius function, and deviates from the Arrhenius function at high temperature. Moreover, the values of the parameter in the two functions are close. The variation of composition of Cu-Zr alloy has little effect on non-Gaussian parameter, that is, the dynamic heterogeneity of Cu-Zr alloy system is less affected by composition changes.

关键词(KeyWords): Cu-Zr合金;玻璃转变;动力学不均匀性;非高斯参数
Cu-Zr alloy;glass transition;dynamic heterogeneity;the non-Gaussian parameter

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作者(Author): 幸晓凤;孙永丽;王智聪;
XING Xiaofeng;SUN Yongli;WANG Zhicong;College of Physics and Optoelectronics, Taiyuan University of Technology;

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