温度对[111] W中子碰撞级联点缺陷形成的影响
Temperature effects on the point defects formation in [111] W by neutron induced collision cascade
摘要：
钨在ITER中被用作面向等离子体的壁，在那里它受到极端的操作条件。在这项工作中，我们研究了在300-900 K温度范围内中子轰击[111]晶体W的损伤形成，这对于设计下一代聚变反应堆是重要的。分子动力学（MD）模拟在高斯近似势（GAP）框架内在1 keV的初级撞击原子（PKA）能量下进行。诱导损伤的分析是由缺陷的指纹和可视化分析仪（FaVAD），这是基于一个旋转不变映射的本地原子邻域允许提取，识别和可视化的原子缺陷的形成过程中和之后的碰撞级联动态。该评估允许对各种缺陷类型进行分类，并将缺陷演变量化为时间和初始样品温度的函数。我们发现，由于热激活机制，弗伦克尔对的生产作为温度的函数增加。
英文摘要：
Tungsten is used as plasma-facing wall in ITER where it is subjected to extreme operating conditions. In this work, we study the damage formation in [111] crystalline W by neutron bombardment in the temperature range of 300-900 K which is important for designing next generation of fusion reactors. The Molecular Dynamics (MD) simulations are performed at a primary knock-on atoms (PKA) energy of 1 keV within the Gaussian Approximation Potential (GAP) framework. The analysis of the induced damage is done by the Fingerprinting and Visualization Analyzer of Defects (FaVAD) which is based on a rotation invariant mapping of the local atomic neighborhoods allowing to extract, to identify and to visualize the atomic defect formation dynamically during and after the collision cascades. The evaluation allows to classify the various defect types and to quantify the defect evolution as function of time and initial sample temperature. We found that the production of Frenkel pair increases as a function of the temperature due to thermal activated mechanisms.
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