温度对碳化硅中快速重离子轨道形成的影响建模

D. I. Zainutdinov, R. A. Voronkov, S. A. Gorbunov, N. Medvedev, R. A. Rymzhanov, M. V. Sorokin, A. E. Volkov
{"title":"温度对碳化硅中快速重离子轨道形成的影响建模","authors":"D. I. Zainutdinov,&nbsp;R. A. Voronkov,&nbsp;S. A. Gorbunov,&nbsp;N. Medvedev,&nbsp;R. A. Rymzhanov,&nbsp;M. V. Sorokin,&nbsp;A. E. Volkov","doi":"10.1134/S1027451024700319","DOIUrl":null,"url":null,"abstract":"<p>A hybrid multiscale model consisting of two coupled modules is used to study the effect of irradiation temperature on the kinetics of the formation of swift heavy ions tracks in silicon carbide (6<i>H</i>-SiC). Excitation of the electronic and atomic subsystems of the material is simulated using the Monte Carlo TREKIS-3 code. The profile of energy transferred to the atomic lattice is used as the initial conditions for molecular-dynamics simulations (using the LAMMPS package) of structural changes in the material near the trajectory of the swift heavy ion. Using the example of Bi-ion irradiation with an energy of 710 MeV, it is found that increasing irradiation temperature leads to an increase in the energy density transferred to the lattice. This induces rapid disordering of the core structure of the track at timescales on the order of 0.25 ps. At irradiation temperatures below 1800 K, subsequent recrystallization of the amorphous region within the cooling track leads to complete restoration of the material structure. At temperatures above the threshold of 1800 K, mass transfer, determined by the ejection of dislocations from the track core, results in the formation of nanoscale voids with a diameter of approximately 3 nm along the ion trajectory. The simulation results are useful for assessing the radiation resistance of silicon carbide under extreme irradiation conditions and for formulating ideas and designing new experiments on high-temperature SiC irradiation.</p>","PeriodicalId":671,"journal":{"name":"Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques","volume":"18 3","pages":"683 - 689"},"PeriodicalIF":0.5000,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Modeling of Temperature Effects on the Formation of Tracks of Swift Heavy Ions in Silicon Carbide\",\"authors\":\"D. I. Zainutdinov,&nbsp;R. A. Voronkov,&nbsp;S. A. Gorbunov,&nbsp;N. Medvedev,&nbsp;R. A. Rymzhanov,&nbsp;M. V. Sorokin,&nbsp;A. E. Volkov\",\"doi\":\"10.1134/S1027451024700319\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>A hybrid multiscale model consisting of two coupled modules is used to study the effect of irradiation temperature on the kinetics of the formation of swift heavy ions tracks in silicon carbide (6<i>H</i>-SiC). Excitation of the electronic and atomic subsystems of the material is simulated using the Monte Carlo TREKIS-3 code. The profile of energy transferred to the atomic lattice is used as the initial conditions for molecular-dynamics simulations (using the LAMMPS package) of structural changes in the material near the trajectory of the swift heavy ion. Using the example of Bi-ion irradiation with an energy of 710 MeV, it is found that increasing irradiation temperature leads to an increase in the energy density transferred to the lattice. This induces rapid disordering of the core structure of the track at timescales on the order of 0.25 ps. At irradiation temperatures below 1800 K, subsequent recrystallization of the amorphous region within the cooling track leads to complete restoration of the material structure. At temperatures above the threshold of 1800 K, mass transfer, determined by the ejection of dislocations from the track core, results in the formation of nanoscale voids with a diameter of approximately 3 nm along the ion trajectory. The simulation results are useful for assessing the radiation resistance of silicon carbide under extreme irradiation conditions and for formulating ideas and designing new experiments on high-temperature SiC irradiation.</p>\",\"PeriodicalId\":671,\"journal\":{\"name\":\"Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques\",\"volume\":\"18 3\",\"pages\":\"683 - 689\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-07-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S1027451024700319\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, CONDENSED MATTER\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques","FirstCategoryId":"1085","ListUrlMain":"https://link.springer.com/article/10.1134/S1027451024700319","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0

摘要

摘要 利用由两个耦合模块组成的混合多尺度模型研究了辐照温度对碳化硅(6H-SiC)中快速重离子轨道形成动力学的影响。使用蒙特卡洛 TREKIS-3 代码模拟了材料的电子和原子子系统的激发。传递到原子晶格的能量曲线被用作分子动力学模拟的初始条件(使用 LAMMPS 软件包),模拟迅猛重离子轨迹附近材料的结构变化。以能量为 710 MeV 的双离子辐照为例,我们发现辐照温度的升高会导致传递到晶格的能量密度增加。这导致轨道核心结构在 0.25 ps 的时间尺度上迅速发生紊乱。在辐照温度低于 1800 K 时,冷却轨道内的非晶区随后会发生再结晶,从而完全恢复材料结构。当温度高于 1800 K 临界温度时,由轨道核心位错喷射决定的质量转移导致沿离子轨迹形成直径约为 3 nm 的纳米级空隙。模拟结果有助于评估碳化硅在极端辐照条件下的抗辐射能力,也有助于提出高温碳化硅辐照的设想和设计新的实验。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

摘要图片

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Modeling of Temperature Effects on the Formation of Tracks of Swift Heavy Ions in Silicon Carbide

A hybrid multiscale model consisting of two coupled modules is used to study the effect of irradiation temperature on the kinetics of the formation of swift heavy ions tracks in silicon carbide (6H-SiC). Excitation of the electronic and atomic subsystems of the material is simulated using the Monte Carlo TREKIS-3 code. The profile of energy transferred to the atomic lattice is used as the initial conditions for molecular-dynamics simulations (using the LAMMPS package) of structural changes in the material near the trajectory of the swift heavy ion. Using the example of Bi-ion irradiation with an energy of 710 MeV, it is found that increasing irradiation temperature leads to an increase in the energy density transferred to the lattice. This induces rapid disordering of the core structure of the track at timescales on the order of 0.25 ps. At irradiation temperatures below 1800 K, subsequent recrystallization of the amorphous region within the cooling track leads to complete restoration of the material structure. At temperatures above the threshold of 1800 K, mass transfer, determined by the ejection of dislocations from the track core, results in the formation of nanoscale voids with a diameter of approximately 3 nm along the ion trajectory. The simulation results are useful for assessing the radiation resistance of silicon carbide under extreme irradiation conditions and for formulating ideas and designing new experiments on high-temperature SiC irradiation.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
0.90
自引率
25.00%
发文量
144
审稿时长
3-8 weeks
期刊介绍: Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques publishes original articles on the topical problems of solid-state physics, materials science, experimental techniques, condensed media, nanostructures, surfaces of thin films, and phase boundaries: geometric and energetical structures of surfaces, the methods of computer simulations; physical and chemical properties and their changes upon radiation and other treatments; the methods of studies of films and surface layers of crystals (XRD, XPS, synchrotron radiation, neutron and electron diffraction, electron microscopic, scanning tunneling microscopic, atomic force microscopic studies, and other methods that provide data on the surfaces and thin films). Articles related to the methods and technics of structure studies are the focus of the journal. The journal accepts manuscripts of regular articles and reviews in English or Russian language from authors of all countries. All manuscripts are peer-reviewed.
期刊最新文献
Wavelike Periodic Structures on the Silicon Surface Initiated by Irradiation with a Focused Gallium Ion Beam Ion Implantation: Nanoporous Germanium The Effect of Atmospheric Oxide Thermodesorption on Negative-Ion Atomic and Cluster Sputtering of Silicon Single Crystal by Cesium Ions Wear Behavior and Surface Quality Analysis of AISI 1040 Steel after Burnishing Process Multiwire Position-Sensitive Neutron Detector with Two Layers of Boron-10
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1