哈氏合金抗中子辐照特性评价及成分优化的原子模拟

项目名称： 哈氏合金抗中子辐照特性评价及成分优化的原子模拟

项目编号： No.51471068

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 一般工业技术

项目作者： 胡望宇

作者单位： 湖南大学

项目金额： 80万元

中文摘要： 熔盐堆具有高热效率、高电功率、低运行压力、高安全性等特点，是先进裂变反应堆的重点发展方向。结构材料是熔盐堆的关键部件，主要候选材料为哈氏合金系列。高剂量中子辐照可能导致哈氏合金微结构发生重大变化，从而引发肿胀、脆化、延展性下降等性能恶化问题，严重影响熔盐堆的运行寿命和安全性。目前针对哈氏合金抗辐照性能评价的研究非常缺乏，开展哈氏合金抗辐照性能评价的研究很有必要。本项目针对钍基熔盐堆结构材料哈氏合金的主要组元（Ni、Mo、Cr），构建并优化这些组元和典型合金（Ni-Mo、Ni-Cr、Ni-Mo-Cr）的原子间相互作用势，通过多尺度模拟方法系统研究其中子辐照行为，探讨合金成分、辐照级联碰撞时的温度、初级碰撞原子能量、辐照剂量对缺陷产生率、缺陷类型、缺陷团簇结构演化等的影响规律及其与辐照后材料体积肿胀率的量化关系，综合评价哈氏合金的抗辐照性能并实现成分优化，为熔盐堆结构材料的选择与优化提供指导。

中文关键词： 哈氏合金；中子辐照；多尺度模拟；成分优化；体积肿胀率

英文摘要： Molten salt reactors with high thermal efficiency, high electric power, low operating pressure, high security features, is focusing on the development direction of advanced fission reactors. Structural material is a key component of molten salt reactor, the main candidate materials are Hastelloy series. High doses of neutron irradiation may result in significant changes of microstructure, and causing swelling and worsening ductility for Hastelloy, which seriously affect the operation of life and safety of molten salt reactors. Currently, because of lacking research on the performance evaluation for anti-radiation, carrying out the anti-radiation performance evaluation for Hastelloy is necessary. Aiming on the main component of Hastelloy (Ni, Mo, Cr) used in thorium-based molten salt reactor, this project will build and optimize the interatomic potentials of these component and typical alloys (Ni-Mo, Ni-Cr, Ni-Mo-Cr), and study the behavior of neutron irradiation through multi-scale simulation methods. Exploring the dependence of the alloy composition, temperature, irradiation collision cascade, and the primary collision atomic energy on the radiation dose rate of defects, defect type, defect cluster structure evolution, and the swelling rate after irradiation, the comprehensive evaluation of anti-radiation of Hastelloy will perform and components optimized to provide theoretical guidance for the selection and optimization of molten salt reactor structural materials.

英文关键词： Hastelloy;neutron irradiation;multi-scale simulation;components optimized;swelling rate