The effect of radiation on silica has attracted significant attention due to its potential application where radiation exists. However, the nature of the atomistic defects of quartz formed during the radiation-induced damage at high temperatures has not been fully elucidated. Molecular dynamics is adopted to investigate the damage-healing behavior of the quartz at high temperatures in this research. The ensuing diffusion and recovery of point defects in the irradiated specimen at high temperatures are simulated. The high temperature reduces the number of point defects. At 1400 K, all point defects are removed, while only some point defects are erased at 700 K. It is illustrated that the over-coordinated atoms are the main source of point defects at 300 K and 700 K. The temperature influences the configuration of point defects. The healing variable of the molecular dynamics model is subsequently developed to describe the healing process. The healing mechanisms of the irradiated specimen at high temperatures are summarized by analyzing the trajectories of atoms in detail. These results are helpful to understand the nature of radiation damage in quartz at high temperatures.

中文翻译：

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石英在高温辐射下的损伤与愈合

辐射对二氧化硅的影响由于其在存在辐射的潜在应用而引起了极大的关注。然而，在高温辐射诱导损伤过程中形成的石英原子缺陷的性质尚未完全阐明。本研究采用分子动力学研究石英在高温下的损伤修复行为。模拟了高温下辐照试样中点缺陷的扩散和恢复。高温减少了点缺陷的数量。在 1400 K 时，所有点缺陷都被去除，而在 700 K 时只有一些点缺陷被擦除。 说明过度配位的原子是 300 K 和 700 K 时点缺陷的主要来源。温度影响构型点缺陷。随后开发分子动力学模型的愈合变量来描述愈合过程。通过详细分析原子的轨迹，总结了高温辐照样品的愈合机制。这些结果有助于了解高温下石英辐射损伤的性质。