{"title":"通过 Voronoi 镶嵌法进行原子尺度分析,分析 M23C6 中与 W 浓度相关的辐射诱导非晶化现象","authors":"Sho Kano , Huilong Yang , Masami Ando , Dai Hamaguchi , Takashi Nozawa , Hiroyasu Tanigawa , Tamaki Shibayama , Hiroaki Abe","doi":"10.1016/j.mtla.2024.102186","DOIUrl":null,"url":null,"abstract":"<div><p>Voronoi tessellation was innovatively applied to interpret the high-resolution atomic-scale micrographs of the Cr-W-C ternary M<sub>23</sub>C<sub>6</sub> with and without irradiation to provide mechanistic insight into the phase stability under irradiation. A W concentration-dependent radiation-induced amorphization behavior was observed and the amorphization was confirmed in the 4 W sample (∼12 at.%W). Analysis of the local crystal structure using Voronoi diagrams shows that the average size of each Voronoi cell and its standard deviation are affected by irradiation and W concentration. In addition, the standard deviation of the Voronoi cell size, which is considered an indicator of the uncertainty of the atomic column positions, is also plotted as a function of the lattice parameter change. This mathematical analysis indicates that a higher W concentration tends to cause a more severe disordering of the atomic distribution upon irradiation, which is directly correlated with the occurrence of amorphization.</p></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"36 ","pages":"Article 102186"},"PeriodicalIF":3.0000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"W-concentration dependent radiation-induced amorphization in M23C6 via atomic-scale analysis by Voronoi tessellation\",\"authors\":\"Sho Kano , Huilong Yang , Masami Ando , Dai Hamaguchi , Takashi Nozawa , Hiroyasu Tanigawa , Tamaki Shibayama , Hiroaki Abe\",\"doi\":\"10.1016/j.mtla.2024.102186\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Voronoi tessellation was innovatively applied to interpret the high-resolution atomic-scale micrographs of the Cr-W-C ternary M<sub>23</sub>C<sub>6</sub> with and without irradiation to provide mechanistic insight into the phase stability under irradiation. A W concentration-dependent radiation-induced amorphization behavior was observed and the amorphization was confirmed in the 4 W sample (∼12 at.%W). Analysis of the local crystal structure using Voronoi diagrams shows that the average size of each Voronoi cell and its standard deviation are affected by irradiation and W concentration. In addition, the standard deviation of the Voronoi cell size, which is considered an indicator of the uncertainty of the atomic column positions, is also plotted as a function of the lattice parameter change. This mathematical analysis indicates that a higher W concentration tends to cause a more severe disordering of the atomic distribution upon irradiation, which is directly correlated with the occurrence of amorphization.</p></div>\",\"PeriodicalId\":47623,\"journal\":{\"name\":\"Materialia\",\"volume\":\"36 \",\"pages\":\"Article 102186\"},\"PeriodicalIF\":3.0000,\"publicationDate\":\"2024-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Materialia\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2589152924001832\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materialia","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2589152924001832","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
创新性地应用 Voronoi tessellation 技术解释了有辐照和无辐照时 Cr-W-C 三元 M23C6 的高分辨率原子尺度显微照片,从而从机理上揭示了辐照下的相稳定性。在 4 W 样品(∼12 at.%W)中,观察到了与 W 浓度相关的辐照诱导的非晶化行为,并证实了非晶化。使用 Voronoi 图分析局部晶体结构表明,每个 Voronoi 单元的平均尺寸及其标准偏差都受到辐照和 W 浓度的影响。此外,Voronoi 单元大小的标准偏差也是晶格参数变化的函数,它被认为是原子列位置不确定性的指标。这一数学分析表明,较高的 W 浓度往往会在辐照时导致更严重的原子分布紊乱,这与非晶化的发生直接相关。
W-concentration dependent radiation-induced amorphization in M23C6 via atomic-scale analysis by Voronoi tessellation
Voronoi tessellation was innovatively applied to interpret the high-resolution atomic-scale micrographs of the Cr-W-C ternary M23C6 with and without irradiation to provide mechanistic insight into the phase stability under irradiation. A W concentration-dependent radiation-induced amorphization behavior was observed and the amorphization was confirmed in the 4 W sample (∼12 at.%W). Analysis of the local crystal structure using Voronoi diagrams shows that the average size of each Voronoi cell and its standard deviation are affected by irradiation and W concentration. In addition, the standard deviation of the Voronoi cell size, which is considered an indicator of the uncertainty of the atomic column positions, is also plotted as a function of the lattice parameter change. This mathematical analysis indicates that a higher W concentration tends to cause a more severe disordering of the atomic distribution upon irradiation, which is directly correlated with the occurrence of amorphization.
期刊介绍:
Materialia is a multidisciplinary journal of materials science and engineering that publishes original peer-reviewed research articles. Articles in Materialia advance the understanding of the relationship between processing, structure, property, and function of materials.
Materialia publishes full-length research articles, review articles, and letters (short communications). In addition to receiving direct submissions, Materialia also accepts transfers from Acta Materialia, Inc. partner journals. Materialia offers authors the choice to publish on an open access model (with author fee), or on a subscription model (with no author fee).