Zilin Cui , Xin Zhang , Yuhong Xu , Akihiro Shimizu , Kunihiro Ogawa , Hiromi Takahashi , Mitsutaka Isobe , Guangjiu Lei , Sanqiu Liu , Heng Li , Jun Hu , Yiqin Zhu , Xiaolong Li , Huaqing Zheng , Xiaoqiao Liu , Haifeng Liu , Xianqu Wang , Hai Liu , Changjian Tang , CFQS team
{"title":"钨晶体中 W-V 混合哑铃的演化过程：关于 W-V 合金作为核聚变装置中面向等离子体材料的研究","authors":"Zilin Cui , Xin Zhang , Yuhong Xu , Akihiro Shimizu , Kunihiro Ogawa , Hiromi Takahashi , Mitsutaka Isobe , Guangjiu Lei , Sanqiu Liu , Heng Li , Jun Hu , Yiqin Zhu , Xiaolong Li , Huaqing Zheng , Xiaoqiao Liu , Haifeng Liu , Xianqu Wang , Hai Liu , Changjian Tang , CFQS team","doi":"10.1016/j.fusengdes.2024.114655","DOIUrl":null,"url":null,"abstract":"<div><p>Alloying is widely used to improve the radiation resistance of plasma-facing materials. The first-principles method based on density function theory was used in this work to study the stability and mobility properties of the W-V mixed dumbbell pair. The diffusion of monovacancy and recovery of mixed dumbbell pairs were also studied. The rotations and diffusion results indicated that the W-V mixed dumbbell pair diffusions are favored in two/three-dimensional motion because of low energy barriers. And the results are also suggested the mixed dumbbell lowers the diffusion energy barriers of the monovacancy. New vacancy diffusion modes were also observed along the 〈110〉 direction during the simulation. Besides, the addition of V may also moderate the diffusion of W SIA in 〈111〉 direction.</p></div>","PeriodicalId":55133,"journal":{"name":"Fusion Engineering and Design","volume":null,"pages":null},"PeriodicalIF":1.9000,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The evolutionary process of W-V mixed dumbbell in tungsten crystals: A study about W-V alloy as a plasma-facing material in fusion devices\",\"authors\":\"Zilin Cui , Xin Zhang , Yuhong Xu , Akihiro Shimizu , Kunihiro Ogawa , Hiromi Takahashi , Mitsutaka Isobe , Guangjiu Lei , Sanqiu Liu , Heng Li , Jun Hu , Yiqin Zhu , Xiaolong Li , Huaqing Zheng , Xiaoqiao Liu , Haifeng Liu , Xianqu Wang , Hai Liu , Changjian Tang , CFQS team\",\"doi\":\"10.1016/j.fusengdes.2024.114655\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Alloying is widely used to improve the radiation resistance of plasma-facing materials. The first-principles method based on density function theory was used in this work to study the stability and mobility properties of the W-V mixed dumbbell pair. The diffusion of monovacancy and recovery of mixed dumbbell pairs were also studied. The rotations and diffusion results indicated that the W-V mixed dumbbell pair diffusions are favored in two/three-dimensional motion because of low energy barriers. And the results are also suggested the mixed dumbbell lowers the diffusion energy barriers of the monovacancy. New vacancy diffusion modes were also observed along the 〈110〉 direction during the simulation. Besides, the addition of V may also moderate the diffusion of W SIA in 〈111〉 direction.</p></div>\",\"PeriodicalId\":55133,\"journal\":{\"name\":\"Fusion Engineering and Design\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-09-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Fusion Engineering and Design\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0920379624005064\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"NUCLEAR SCIENCE & TECHNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fusion Engineering and Design","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0920379624005064","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"NUCLEAR SCIENCE & TECHNOLOGY","Score":null,"Total":0}
引用次数: 0
摘要
合金化被广泛用于提高面向等离子体的材料的抗辐射能力。本研究采用基于密度函数理论的第一原理方法研究了 W-V 混合哑铃对的稳定性和迁移率特性。此外，还研究了单可变性的扩散和混合哑铃对的恢复。旋转和扩散结果表明，由于能量障碍较低，W-V 混合哑铃对的扩散在二维/三维运动中是有利的。研究结果还表明，混合哑铃降低了单空位的扩散能垒。在模拟过程中，沿〈110〉方向也观察到了新的空位扩散模式。此外，V 的加入还可能缓和 W SIA 在〈111〉方向上的扩散。
The evolutionary process of W-V mixed dumbbell in tungsten crystals: A study about W-V alloy as a plasma-facing material in fusion devices
Alloying is widely used to improve the radiation resistance of plasma-facing materials. The first-principles method based on density function theory was used in this work to study the stability and mobility properties of the W-V mixed dumbbell pair. The diffusion of monovacancy and recovery of mixed dumbbell pairs were also studied. The rotations and diffusion results indicated that the W-V mixed dumbbell pair diffusions are favored in two/three-dimensional motion because of low energy barriers. And the results are also suggested the mixed dumbbell lowers the diffusion energy barriers of the monovacancy. New vacancy diffusion modes were also observed along the 〈110〉 direction during the simulation. Besides, the addition of V may also moderate the diffusion of W SIA in 〈111〉 direction.
期刊介绍：
The journal accepts papers about experiments (both plasma and technology), theory, models, methods, and designs in areas relating to technology, engineering, and applied science aspects of magnetic and inertial fusion energy. Specific areas of interest include: MFE and IFE design studies for experiments and reactors; fusion nuclear technologies and materials, including blankets and shields; analysis of reactor plasmas; plasma heating, fuelling, and vacuum systems; drivers, targets, and special technologies for IFE, controls and diagnostics; fuel cycle analysis and tritium reprocessing and handling; operations and remote maintenance of reactors; safety, decommissioning, and waste management; economic and environmental analysis of components and systems.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
