项目名称： 高束流密度氢辐照下钨表面层演化的计算模拟研究

项目编号： No.51501119

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 一般工业技术

项目作者： 付宝勤

作者单位： 四川大学

项目金额： 20万元

中文摘要： 面对等离子体材料(PFM)的设计与研究是磁约束托卡马克安全可靠运行的关键问题之一，壁材料钨(W)在高束流密度氢(H)同位素辐照下，其表面层形成的纳米结构包括纳米泡(针状孔洞)和表面纳米形貌，这是近几年发现的重要实验现象，其可能影响壁材料的服役性能，进而影响聚变装置的安全稳定运行，因而有必要从原子尺度上研究纳米结构形成和演化的物理机制。.本申请将采用分子动力学(MD)等数值计算方法从原子尺度系统地研究高束流密度H同位素辐照下钨表面层纳米结构的形核和长大机制，尤其对钨表面层晶体取向因素展开讨论，分析总结钨表面层中H同位素及其团簇的微观动力学特征。为钨表面层发现的多种损伤现象提供理论解释，促进聚变堆材料的研究发展，加快可控聚变能的开发利用。

中文关键词： 辐照损伤；数值模拟；晶体缺陷；分子动力学；金属材料

英文摘要： The design and research of plasma facing material (PFM) remains one of critical issues in the safe and reliable operation of tokamak-type magnetic confinement device. The irradiation damage behaviors, such as the nano-structure in the outer surface of tungsten (W) used as PFM, caused by high fluexs of hydrogen (H) isotopes are of serious concerns not only to the lifetime of PFMs, but also to the stability of plasma operations. Therefore, it is necessary to study the physical mechanisms of the formation and evolution of these nano-structures, which tend to deep into the atomic scale and need to be studied from the perspective of computational simulation. .In the present proposal, based on the molecular dynamics (MD) and some other numerical methods, the physical mechanisms of the nucleation and growth of these nano-structures will be studied, the anisotropic effect will be analyzed, and the microscopic kinetic behaviors of hydrogen isotopes and their clusters in the outer surface of tungsten will also be studied. The present proposal will facilitate further the optimization of the microstructure of tungsten-based materials, the development of the fusion materials and promote the use of the fusion energy.

英文关键词： Irradiation Damage;Numerical Simulation;Crystal Defect;Molecular Dynamics;Metal