ABSTRACT Displacement damage in beryllium was predicted as a function of temperature and energy using molecular dynamics simulations. A key aim of this study was to determine if average results from large displacement cascades correspond to values predicted by the Kinchin–Pease (K–P) model. The number of residual defects remaining after 1 ps increased linearly with primary knock-on atom (PKA) energy from 0.5 keV to 2.5 keV, while the extent of residual damage was largely temperature independent from 300 K to 1100 K. The same simulation model was used to predict the directionally averaged probability of displacement as a function of displacement energy, , and thereby the threshold displacement energy at which the probability for displacement is 100%, eV. There is an excellent correspondence between the K–P prediction using and the number of residual defects remaining after the initial recovery phase. Also, by utilising , a modification to the K–P model is proposed that gives rise to an average model prediction when .

中文翻译：

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预测铍的辐射损伤

摘要 铍的位移损伤被预测为使用分子动力学模拟的温度和能量的函数。本研究的一个主要目的是确定大位移级联的平均结果是否与 Kinchin-Pease (K-P) 模型预测的值相对应。1 ps 后剩余的残余缺陷数量随初级碰撞原子 (PKA) 能量从 0.5 keV 线性增加到 2.5 keV，而残余损伤的程度在很大程度上与温度无关，从 300 K 到 1100 K。相同的模拟模型是用于预测作为位移能量函数的定向平均位移概率，从而预测位移概率为 100% 时的阈值位移能量，eV。K-P 预测使用与初始恢复阶段后剩余的残余缺陷数量之间存在极好的对应关系。此外，通过利用 ，提出了对 K-P 模型的修改，在 时产生平均模型预测。