[1]李靖,张晨,徐西强,等.难熔高熵合金辐照损伤计算模拟研究进展[J].中国材料进展,2025,44(01):074-83.[doi:10.7502/j.issn.1674-3962.202410024]
　LI Jing,ZHANG Chen,XU Xiqiang,et al.Progress in Computational Simulation of Irradiation Damage in Refractory High-Entropy Alloys for Nulcear Applications[J].MATERIALS CHINA,2025,44(01):074-83.[doi:10.7502/j.issn.1674-3962.202410024]
点击复制

难熔高熵合金辐照损伤计算模拟研究进展()
分享到：

中国材料进展[ISSN:1674-3962/CN:61-1473/TG]

卷:
44
期数:
2025年01
页码:
074-83
栏目:
出版日期:
2025-01-30

文章信息/Info

Title:
Progress in Computational Simulation of Irradiation Damage in Refractory High-Entropy Alloys for Nulcear Applications
文章编号:
1674-3962(2025)01-0074-10
作者:
李靖; 张晨; 徐西强; 魏峥; hehu Adam Ibrahim; 张平; 苏钲雄; 施坦; 卢晨阳
西安交通大学核科学与技术学院,西安710049
Author(s):
LI Jing;  ZHANG Chen;  XU Xiqiang;  WEI Zheng;  ZHANG Yizhuo;  SHEHU Adam Ibrahim;  ZHANG Ping;  SU Zhengxiong;  SHI Tan;  LU Chenyang
Department of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049, China
关键词:
难熔高熵合金; 辐照损伤; 缺陷行为; 第一性原理计算; 分子动力学
Keywords:
refractory high-entropy alloy;  irradiation damage;  defect behavior;  firstprinciples calculations;  molecular dynamics
分类号:
TL341;TG139
DOI:
10.7502/j.issn.1674-3962.202410024
文献标志码:
A
摘要:
核能具有高能量密度、零碳排放、可持续性强以及稳定供电等优点，受到了世界各国的广泛关注。然而，关键堆芯材料长时间暴露在高温、高剂量的中子辐照环境下，不可避免地产生各种类型的辐照损伤缺陷，对材料的力学性能及服役寿命提出了严峻的挑战。难熔高熵合金具有较高的熔点、良好的高温力学性能以及抗辐照性能，在先进高温核反应堆结构材料方面具有很大的应用潜力。由于难熔高熵合金的多样性与合金中主元的复杂性，合金中辐照缺陷的基本热力学与动力学性质为目前研究的主要方向，对理解合金抗辐照损伤机理至关重要。目前的研究主要采用第一性原理和分子动力学等原子尺度模拟计算方法，随着研究的深入，在更高空间尺度和更长时间尺度的辐照损伤演化计算研究方面也取得了初步进展。围绕近年来核用难熔高熵合金点缺陷与缺陷团簇能量性质、辐照缺陷的产生与分布、辐照缺陷的扩散与演化3个方面的模拟计算研究进展进行了总结，并在此基础上对核用难熔高熵合金的下一步辐照损伤模拟研究作出展望。
Abstract:
Nuclear energy, with the advantages of high energy density, zero carbon emission, high sustainability and stable power supply, has received extensive attention from countries around the world. However, the key structural materials are exposed to long-term high-temperature and high neutron dose environment, which inevitably produces various types of irradiation damage defects, posing serious challenges to the mechanical properties and service life of the materials. Refractory highentropy alloys, with high melting points, good high-temperature mechanical properties and improved irradiation resistance properties, have good potential for applications in the structural materials of advanced high-temperature nuclear reactors. Due to the diversity of the refractory high-entropy alloys and the complexity of the principal elements in the alloys, the basic thermodynamic and kinetic properties of irradiation defects are the main directions of the current simulation research, which is crucial to the understanding of the irradiation damage resistance mechanisms. The main simulation research methods include atomic simulation methods such as first-principles calculations and molecular dynamics simulations. In recent years, with the deepening of the research, the study of irradiation damage evolution at higher spatial scales and longer time scales has also made progress. In this paper, we summarize the research progress on the energy properties of point defects and defect clusters, the generation and distribution of irradiation defects, and the diffusion and evolution of irradiation defects in refractory high-entropy alloys studied for nuclear applications. Based on the current research progress, we discuss future research directions for the computational simulation of irradiation damage in refractory high-entropy alloys.

备注/Memo

备注/Memo:
收稿日期：2024-10-30修回日期：2024-11-22 基金项目：国家重点研发计划项目（2019YFA0209900）；中国博士后科学基金项目（2021M702583）；国家资助博士后研究人员计划项目（GZC20232089） 第一作者：李靖，男，1994年生，博士研究生 通讯作者：卢晨阳，男，1985年生，教授，博士生导师， Email:chenylu@xjtu.edu.cn
更新日期/Last Update: 2024-12-30