Ziqi Cai , Zhuang Shao , Chi Xu , Xinwei Yuan , Huan He , Yuanming Li , Wenjie Li , Kangfu Zhu , Qingmin Zhang
{"title":"3C-SiC中腔/Xe气泡的碰撞级联叠加效应:原子模拟和实验研究","authors":"Ziqi Cai , Zhuang Shao , Chi Xu , Xinwei Yuan , Huan He , Yuanming Li , Wenjie Li , Kangfu Zhu , Qingmin Zhang","doi":"10.1016/j.ceramint.2025.01.121","DOIUrl":null,"url":null,"abstract":"<div><div>Heavy gaseous fission product bubbles in nuclear fuel pose a significant influence on the microstructure and properties of coating materials. We employ atomistic simulations, successive carbon and xenon (Xe) ion irradiation experiments, and TEM observations to explore the effects of Xe bubbles and cascade overlap on 3C-SiC, with a particular focus on the Xe/V ratio, bubble size, shape, and stability. Our findings reveal that under a fixed Xe/V ratio, bubbles attract vacancies, leading to increased bubble size. When the bubble diameter is held constant, Xe atoms continue to accumulate until reaching a critical Xe/V value of 0.8, at which point recoil bursting occurs. Cascade overlap transforms the linear cascade behavior of SiC into a surface distribution that dissolves around bubbles. Xe bubbles with high crystallinity (Xe/V = 0.7) repeatedly undergo amorphization and recrystallization during cascade overlap, inhibiting the thermal recovery of self-interstitial atoms in SiC after thermal spikes and enhancing C-C homonuclear bonding around the bubbles. Moreover, we demonstrate that at Xe/V values exceeding 0.5, bubble pressure induces plastic deformation, forming interstitials and promoting chemical disorder and amorphization in the SiC matrix during growth and irradiation. These findings provide fresh insights into the behavior of heavy-atom bubbles under complex irradiation conditions in the SiC matrix.</div></div>","PeriodicalId":267,"journal":{"name":"Ceramics International","volume":"51 10","pages":"Pages 12818-12830"},"PeriodicalIF":5.1000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Collision cascades overlapping effect with cavity/Xe bubble in 3C-SiC:Atomistic simulations and experimental investigations\",\"authors\":\"Ziqi Cai , Zhuang Shao , Chi Xu , Xinwei Yuan , Huan He , Yuanming Li , Wenjie Li , Kangfu Zhu , Qingmin Zhang\",\"doi\":\"10.1016/j.ceramint.2025.01.121\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Heavy gaseous fission product bubbles in nuclear fuel pose a significant influence on the microstructure and properties of coating materials. We employ atomistic simulations, successive carbon and xenon (Xe) ion irradiation experiments, and TEM observations to explore the effects of Xe bubbles and cascade overlap on 3C-SiC, with a particular focus on the Xe/V ratio, bubble size, shape, and stability. Our findings reveal that under a fixed Xe/V ratio, bubbles attract vacancies, leading to increased bubble size. When the bubble diameter is held constant, Xe atoms continue to accumulate until reaching a critical Xe/V value of 0.8, at which point recoil bursting occurs. Cascade overlap transforms the linear cascade behavior of SiC into a surface distribution that dissolves around bubbles. Xe bubbles with high crystallinity (Xe/V = 0.7) repeatedly undergo amorphization and recrystallization during cascade overlap, inhibiting the thermal recovery of self-interstitial atoms in SiC after thermal spikes and enhancing C-C homonuclear bonding around the bubbles. Moreover, we demonstrate that at Xe/V values exceeding 0.5, bubble pressure induces plastic deformation, forming interstitials and promoting chemical disorder and amorphization in the SiC matrix during growth and irradiation. These findings provide fresh insights into the behavior of heavy-atom bubbles under complex irradiation conditions in the SiC matrix.</div></div>\",\"PeriodicalId\":267,\"journal\":{\"name\":\"Ceramics International\",\"volume\":\"51 10\",\"pages\":\"Pages 12818-12830\"},\"PeriodicalIF\":5.1000,\"publicationDate\":\"2025-04-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Ceramics International\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S027288422500121X\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, CERAMICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Ceramics International","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S027288422500121X","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, CERAMICS","Score":null,"Total":0}
Collision cascades overlapping effect with cavity/Xe bubble in 3C-SiC:Atomistic simulations and experimental investigations
Heavy gaseous fission product bubbles in nuclear fuel pose a significant influence on the microstructure and properties of coating materials. We employ atomistic simulations, successive carbon and xenon (Xe) ion irradiation experiments, and TEM observations to explore the effects of Xe bubbles and cascade overlap on 3C-SiC, with a particular focus on the Xe/V ratio, bubble size, shape, and stability. Our findings reveal that under a fixed Xe/V ratio, bubbles attract vacancies, leading to increased bubble size. When the bubble diameter is held constant, Xe atoms continue to accumulate until reaching a critical Xe/V value of 0.8, at which point recoil bursting occurs. Cascade overlap transforms the linear cascade behavior of SiC into a surface distribution that dissolves around bubbles. Xe bubbles with high crystallinity (Xe/V = 0.7) repeatedly undergo amorphization and recrystallization during cascade overlap, inhibiting the thermal recovery of self-interstitial atoms in SiC after thermal spikes and enhancing C-C homonuclear bonding around the bubbles. Moreover, we demonstrate that at Xe/V values exceeding 0.5, bubble pressure induces plastic deformation, forming interstitials and promoting chemical disorder and amorphization in the SiC matrix during growth and irradiation. These findings provide fresh insights into the behavior of heavy-atom bubbles under complex irradiation conditions in the SiC matrix.
期刊介绍:
Ceramics International covers the science of advanced ceramic materials. The journal encourages contributions that demonstrate how an understanding of the basic chemical and physical phenomena may direct materials design and stimulate ideas for new or improved processing techniques, in order to obtain materials with desired structural features and properties.
Ceramics International covers oxide and non-oxide ceramics, functional glasses, glass ceramics, amorphous inorganic non-metallic materials (and their combinations with metal and organic materials), in the form of particulates, dense or porous bodies, thin/thick films and laminated, graded and composite structures. Process related topics such as ceramic-ceramic joints or joining ceramics with dissimilar materials, as well as surface finishing and conditioning are also covered. Besides traditional processing techniques, manufacturing routes of interest include innovative procedures benefiting from externally applied stresses, electromagnetic fields and energetic beams, as well as top-down and self-assembly nanotechnology approaches. In addition, the journal welcomes submissions on bio-inspired and bio-enabled materials designs, experimentally validated multi scale modelling and simulation for materials design, and the use of the most advanced chemical and physical characterization techniques of structure, properties and behaviour.
Technologically relevant low-dimensional systems are a particular focus of Ceramics International. These include 0, 1 and 2-D nanomaterials (also covering CNTs, graphene and related materials, and diamond-like carbons), their nanocomposites, as well as nano-hybrids and hierarchical multifunctional nanostructures that might integrate molecular, biological and electronic components.