NUCLEAR TECHNIQUES, Volume. 47, Issue 11, 110001(2024)
Current progress of molecular dynamics simulation study on the corrosion of reactor alloy materials
Figures & Tables(4)
Fig. 2. General process for the development of machine-learning force fields
Table 1. Simulation of alloy material corrosion in water reactor environment
View tableView in ArticleTable 1. Simulation of alloy material corrosion in water reactor environment
单位Units 势函数
Potential
研究内容Content 年份
Years
中山大学SunYat-sen University COMPASS Ⅱ 不同温度和浓度下Fe3O4的团聚和沉积行为[
38 ]Agglomeration and deposition behavior of Fe3O4 at different
temperatures and concentrations
2021 湖南大学
Hunan University
ReaxFF 水在两种不同Fe表面上的解离行为[
3 ]Dissociation behavior of water on two distinct Fe surfaces
2022 湖南大学
Hunan University
ReaxFF 晶界类型对Fe-H2O界面腐蚀过程的影响[
39 ]The influence of grain boundary types in corrosion process of
the Fe-H2O interface
2022 特伦特大学
Trent University
CLAYFF 超临界水在氢氧化铁表面的吸附和聚集行为[
40 ]Adsorption and aggregation behavior of supercritical water on
the surface of iron hydroxide
2013 特伦特大学
Trent University
CLAYFF 氢氧化铁体系中间隙对氯原子和水分子扩散的影响[
41 ]The impact of interstitial space in the iron hydroxide system on
the diffusion of chlorine atoms and water molecules
2015 湖南大学
Hunan University
ReaxFF 超临界水中α-Fe的SCC裂纹萌生机理[
2 ]The mechanism of stress corrosion cracking (SCC) initiation in alpha
iron (α-Fe) in supercritical water
2023 东北大学
Tohoku University
TBMD Fe和Fe-Cr合金表面的初始氧化阶段[
42 ]The surface of Fe and Fe-Cr alloys undergoes an initial oxidation stage
2012 核安全研究中心
Nuclear Safety
Research Center
TBMD Fe-Cr二元合金在沸水堆环境下不同晶界处的氧化机制[
43 ]Oxidation mechanism of Fe-Cr binary alloy at different grain
boundaries in boiling water reactor environment
2013 江苏前沿电气科技有限公司
Jiangsu Frontier Electric
Technology Co
ReaxFF Fe-Cr二元合金在超临界水中的氧化行为[
44 ]The oxidation behavior of Fe-Cr binary alloy in supercritical water
2021 东北大学
Tohoku University
TBMD FCC Fe-Cr-Ni三元合金在288 ℃下SCC裂纹的萌生行为[
21 ]Initiation behavior of stress corrosion cracking (SCC) in a ternary
alloy of iron, chromium, and nickel at a temperature of 288 ℃
2009 中国化学工程集团公司
China National Chemical
Engineering Group Company
ReaxFF Ni60Cr30Fe10多晶合金在900 K溶解氧水中的SCC裂纹萌生行为[
36 ]SCC crack initiation behavior of Ni60Cr30Fe10 polycrystalline
alloy in 900 K dissolved oxygen water
2021 牛津大学
University of Oxford
CFF93 H2分子在氧化锆纳米孔中的扩散行为[
45 ]Diffusion behavior of H2 molecules in zirconia nanopores
2019 哈佛大学
Harvard University
CTIP 电场作用下纳米级氧化锆薄膜的生长行为[
46 ]Growth behavior of nanoscale zirconia thin films under electric field
2009 中国核动力研究设计院
Nuclear Power Institute
of China
COMB 大尺寸氧化锆颗粒的形成机制[
47 ]Formation mechanism of large-sized zirconia particles
2019
Table 2. Simulation of alloy material corrosion in liquid-metal reactor environment
View tableView in ArticleTable 2. Simulation of alloy material corrosion in liquid-metal reactor environment
单位
Units
势函数
Potential
研究内容
Content
年份
Years
1 中国科学院研究生院
Graduate University of the
Chinese Academy of Sciences
EAM 液铅在铁表面的扩散行为[
60 ]Diffusion behavior of liquid lead on iron surface
2012 2 清华大学
Tsinghua University
GEAM 不同温度下圆柱形铅（Pb）液滴在铁表面的润湿特性[
61 ]Wetting characteristics of cylindrical lead droplets on the surface
of iron at different temperatures
2022 3 中国科学院
Chinese Academy of Sciences
GEAM Fe-Pb二元体系的力场开发[
62 ]Development of force field for Fe-Pb Binary Systems
2022 4 湖南大学
Hunan University
MAEAM 铜锂固液界面的腐蚀行为[
63 ]Corrosion behavior of copper-lithium solid-liquid interface
2018 5 深圳大学
Shenzhen University
EAM 铜在620 K静态液体Li中的腐蚀特性[
64 ]Corrosion characteristics of copper in static liquid Li at 620 K
2019 6 湖南大学
Hunan University
MAEAM Cu的晶界与液态Li的相容性[
65 ]Compatibility of grain boundaries between Cu and liquid Li
2020
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Hanzi ZHANG, Baoliang ZHANG, Chuankai SHEN, Menghe TU, Bin LONG, Hui WANG. Current progress of molecular dynamics simulation study on the corrosion of reactor alloy materials[J]. NUCLEAR TECHNIQUES, 2024, 47(11): 110001
Paper Information
Category: INVITED REVIEW
Received: Nov. 26, 2023
Accepted: --
Published Online: Jan. 2, 2025
The Author Email: ZHANG Baoliang (ZHANGBaoliang)
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