标题： 应变和温度对体心立方铁的阈值位移能的影响 显示英文标题

标题： Effect of strain and temperature on the threshold displacement energy in body-centered cubic iron

摘要： 阈值位移能（TDE）是将原子从晶格位置上移除所需的最小动能。 TDE的大小随着晶体学方向、系统温度和施加的应变等多种因素而显著变化。 为了计算给定辐射条件下产生的总位移数，从而理解材料对辐射的响应，准确确定TDE的值至关重要。 在本研究中，进行了分子动力学模拟，以计算体心立方铁中阈值位移能随应变和温度的变化情况。 在施加应变的情况下，观察到TDE最多减少了约14 eV。 温度从300 K升高到500 K可能导致TDE最多增加约9 eV。 显示英文摘要

摘要： The threshold displacement energy (TDE) is the minimum amount of kinetic energy required to displace an atom from its lattice site. The magnitude of the TDE displays significant variance as a function of the crystallographic direction, system temperature and applied strain, among a variety of other factors. It is critically important to determine an accurate value of the TDE in order to calculate the total number of displacements due to a given irradiation condition, and thus to understand the materials response to irradiation. In this study, molecular dynamics simulations have been performed to calculate the threshold displacement energy in body-centered cubic iron as a function of strain and temperature. With applied strain, a decrease of the TDE of up to approximately 14 eV was observed. A temperature increase from 300 K to 500 K can result in an increase of the TDE of up to approximately 9 eV.