高辐照容忍性锆基陶瓷的辐照损伤、热物理性能演变与计算模拟

项目名称： 高辐照容忍性锆基陶瓷的辐照损伤、热物理性能演变与计算模拟

项目编号： No.11475240

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： 满振勇

作者单位： 中国科学院上海硅酸盐研究所

项目金额： 80万元

中文摘要： 锆基陶瓷是未来核能应用中所需要的结构材料和惰性基体燃料的重要候选材料。但目前受实验条件所限，辐照条件下的材料性能评价非常困难，缺乏组分-制备-服役的明确对应关系。本项目以典型锆基陶瓷ZrC，ZrN，ZrO2为主要研究对象，通过计算机模拟预言极端条件下的材料结构与性能，揭示不同服役条件下锆基陶瓷的性能与化学计量比、缺陷类型、晶界特征之间的内在关系。结合辐照实验，研究材料辐照后的微观结构和力学性能，分析锆基陶瓷抗辐照容忍性的差异及其内在机制。建立分析和预测先进核能系统用锆基陶瓷的辐照和热物理性能的理论模型，为耐高温、辐照的关键结构陶瓷的设计、筛选提供基础的理论和实验数据。

中文关键词： 计算机模拟；锆基陶瓷；辐照损伤；热物理性能；材料基因组

英文摘要： Zr-based ceramics are important candidate materials of structural materials and IMF materials for future nuclear energy applications. Due to experimental limitations, evaluations of material properties under radiation conditions are very difficulty with a definite lack of relationship between 'components-synthesis-employment'. Focusing on typical Zr-based ceramics (ZrC, ZrN, ZrO2), this project will unveil the relationship between structures and properties under extreme conditions with computer simulations. Especially, the influence of stoichiometry, defect types, grain boundaries on properties will be investigated. Combing radiation experiments, changes of microstructues and mechanical properties of Zr-based ceramics before and after radiation will be studied. Anti-radiation Mechanism of different Zr-based ceramics will be proposed and theoretical models of analyzing and predicting radiation and thermo-physical properties of Zr-based ceramics for advanced nuclear systems will be established to provide basic theoretical and experimental data for materials design and selections of key anti-high temperature, anti-radiation structural ceramics.

英文关键词： computer simulation;Zr-based ceramics;radiation damage;thermo-physical properties;Materials Genome Initiative