论文标题
在负压下单一组分均匀非晶固体中的空腔成核
Cavity nucleation in single-component homogeneous amorphous solids under negative pressure
论文作者
论文摘要
了解固体中的空腔形成和空腔生长机制对于正确确定其剥削能力和机械特征具有基本和应用的重要性。在这项工作中，我们介绍了分子动力学仿真结果，用于单一非定形金属合金中纳米化腔的均匀形成过程。为了识别各种形状和大小的空腔，已经开发了一种原始方法，该方法基于相同直径的虚拟颗粒（球）填充腔。通过平均第一学期时间分析，表明在无定形金属熔体中的腔形成是激活型过程。可以用经典成核理论来描述此过程，该理论通常应用于一阶相变的情况。计算了腔的活化能，临界大小和成核速率，其值与无定形系统中晶体成核的情况相当。
Understanding the cavity formation and cavity growth mechanisms in solids has fundamental and applied importance for the correct determination of their exploitation capabilities and mechanical characteristics. In this work, we present the molecular dynamics simulation results for the process of homogeneous formation of nanosized cavities in a single-component amorphous metallic alloy. To identify cavities of various shapes and sizes, an original method has been developed, which is based on filling cavities by virtual particles (balls) of the same diameter. By means of the mean first-passage time analysis, it was shown that the cavity formation in an amorphous metallic melt is the activation-type process. This process can be described in terms of the classical nucleation theory, which is usually applied to the case of first order phase transitions. Activation energy, critical size and nucleation rate of cavities are calculated, the values of which are comparable with those for the case of crystal nucleation in amorphous systems.
