纳米结构核材料离子束辐照的三维蒙特卡洛模拟

项目名称： 纳米结构核材料离子束辐照的三维蒙特卡洛模拟

项目编号： No.11475215

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 李永钢

作者单位： 中国科学院合肥物质科学研究院

项目金额： 86万元

中文摘要： 纳米复合结构材料是目前最具潜力的高抗辐照、高强度和足够高稳定性的核结构候选材料，研究其在离子束辐照下的初级损伤问题是揭示材料高抗辐照性能的关键。鉴于制约因素的复杂性，实验上的困难以及为了缩短研究周期，相关基础问题的理论研究至关重要。本项目将从离子与固体相互作用和辐照损伤等的基础物理出发，定量地探究纳米结构核材料在离子束辐照下初级损伤的新效应。拟基于标准的SRIM数据库，快速数据库索引技术和MPI并行算法以及实体结构几何法/有限元三角形网格法的3D结构算法，建立精确、高效和普适的三维Monte Carlo模型，为纳米结构核材料离子束辐照的初级损伤过程及其三维空间分布提供一般理论分析方法。其结果将直接为复杂结构核材料的多尺度辐照损伤及服役行为提供理论指导及预测，极大地促进先进核材料的发展与应用。

中文关键词： 纳米结构；核材料；离子束辐照；辐照损伤；蒙特卡洛方法

英文摘要： Nanocomposite structural materials are the most promising candidates at present for the nuclear structural materials with high radiation resistant, high strength and sufficiently high stability. The study of primary radiation damages of materials under ion beam irradiation is the key to understand their high anti-radiation performance. Considering the complexity of constraints, the difficulties in experiments and the purpose to shorten research periods, it is very important to perform related theoretical researches on these underlying issues. Based on the fundamental physics of ion-solid interaction and radiation damage processes, new primary damage effects in nanostructured nuclear materials under ion beam irradiation will be studied quantitively in this project. An accurate, efficient and universal 3D Monte Carlo model will be developed based on the standard SRIM databases, fast database indexing technique and MPI parallel algorithm as well as 3D structural algorithms of Constructive Solid Geometry/Finite Element Triangle Mesh methods, which can provide a general theoretical approach to analysis the primary damage processes and the corresponding 3D distributions of defects in nanostructured materials under ion beam irradiation. The results will directly provide theoretical support and forecast for the multi-scale radiation damages and service behaviors of complex structural nuclear materials, which would promote the development and application of advanced nuclear materials dramatically.

英文关键词： Nanostructure;Nuclear materials;Ion beam irradiation;Radiation damages;Monte Carlo method