Applying multi-scale simulations to materials research of nuclear fuels:A review  

作　　者：Chunyang Wen Di Yun Xinfu He Yong Xin Wenjie Li Zhipeng Sun 

机构地区：[1]School of Nuclear Science and Technology,Xi'an Jiaotong University,Xi'an,710049,China [2]State Key Laboratory of Multiphase Flow,Xi'an Jiaotong University,Xi'an,710049,China [3]China Institute of Atomic Energy,Beijing,102413,China [4]Key Laboratory of Nuclear Reactor System Design Technology,Nuclear Power Institute of China,Chengdu,610213,China

出　　处：《Materials Reports(Energy)》2021年第3期64-80,共17页材料导报（能源）（英文）

基　　金：the financial support from the China National Natural Science Foundation project(11675126);Project of China Nuclear Power Innovation Center,China National Nuclear Corporation Science fund for talented young scholars(FY18000120);the National Science and Technology Major Project of the Ministry of Science and Technology of China(2019ZX06004009).

摘　　要：Computational simulation is an important technical means in research of nuclear fuel materials.Since nuclear fuel issues are inherently multi-scopic,it is imperative to study them with multi-scale simulation scheme.At present,the development of multi-scale simulation for nuclear fuel materials calls for a more systematic approach,in which lies the main purpose of this article.The most important thing in multi-scale simulation is to accurately formulate the goals to be achieved and the types of methods to be used.In this regard,we first summarize the basic principles and applicability of the simulation methods which are commonly used in nuclear fuel research and are based on different scales ranging from micro to macro,i.e.First-Principles(FP),Molecular Dynamics(MD),Kinetic Monte Carlo(KMC),Phase Field(PF),Rate Theory(RT),and Finite Element Method(FEM).And then we discuss the major material issues in this field,also ranging from micro-scale to macro-scale and covering both pellets and claddings,with emphasis on what simulation method would be most suitable for solving each of the issues.Finally,we give our prospective analysis and understanding about the feasible ways of multi-scale integration and relevant handicaps and challenges.

关 键 词：Computational simulation Nuclear fuel Multi-scale modeling Irradiation behavior 

分 类 号：O57[理学—粒子物理与原子核物理]