{"title":"六方紧密堆积金属中由析出物介导的孪生双晶粒边界反应的三维相场建模、取向预测和应力场分析","authors":"","doi":"10.1016/j.actamat.2024.120386","DOIUrl":null,"url":null,"abstract":"<div><p>Crystalline defects, such as dislocations, disclinations, twins and grain boundaries, play critical roles in determining the mechanical properties of metals and alloys. In particular, with multiple competitive deformation modes activated, the mechanical behaviors of hexagonal close-packed metals are strongly influenced by the interactions and reactions of various types of defects. Despite extensive studies on the elastic interactions of defects, a theoretical framework capturing crystallographic reactions, especially reaction products and associated local stress concentration, is still unavailable. Here we suggest a disclination-based method to quantify defect reactions. By using a combination of crystallographic calculations and phase field modeling/simulations, twin-twin and twin-grain boundary reactions in hexagonal close-packed metals have been quantitatively analyzed. It has been found that partial disclinations, accompanied with other defects (e.g., <span><math><mrow><mo>{</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>6</mn></mrow><mo>}</mo></mrow></math></span> and <span><math><mrow><mo>{</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> high-index twins), can be generated by defect reactions as typical byproducts. The orientation change and stress fields caused by disclination formation have been systematically calculated, which offers a rigorous mathematical foundation to explore twin-twin, twin-grain boundary reactions. By quantitatively determining defect reactions and local stress fields, our work provides new insights into the deformation mechanism and microstructure-property relationship in metallic materials.</p></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":null,"pages":null},"PeriodicalIF":8.3000,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Three-dimensional phase field modeling, orientation prediction and stress field analyses of twin-twin, twin-grain boundary reactions mediated by disclinations in hexagonal close-packed metals\",\"authors\":\"\",\"doi\":\"10.1016/j.actamat.2024.120386\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Crystalline defects, such as dislocations, disclinations, twins and grain boundaries, play critical roles in determining the mechanical properties of metals and alloys. In particular, with multiple competitive deformation modes activated, the mechanical behaviors of hexagonal close-packed metals are strongly influenced by the interactions and reactions of various types of defects. Despite extensive studies on the elastic interactions of defects, a theoretical framework capturing crystallographic reactions, especially reaction products and associated local stress concentration, is still unavailable. Here we suggest a disclination-based method to quantify defect reactions. By using a combination of crystallographic calculations and phase field modeling/simulations, twin-twin and twin-grain boundary reactions in hexagonal close-packed metals have been quantitatively analyzed. It has been found that partial disclinations, accompanied with other defects (e.g., <span><math><mrow><mo>{</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>6</mn></mrow><mo>}</mo></mrow></math></span> and <span><math><mrow><mo>{</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> high-index twins), can be generated by defect reactions as typical byproducts. The orientation change and stress fields caused by disclination formation have been systematically calculated, which offers a rigorous mathematical foundation to explore twin-twin, twin-grain boundary reactions. By quantitatively determining defect reactions and local stress fields, our work provides new insights into the deformation mechanism and microstructure-property relationship in metallic materials.</p></div>\",\"PeriodicalId\":238,\"journal\":{\"name\":\"Acta Materialia\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":8.3000,\"publicationDate\":\"2024-09-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Materialia\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1359645424007365\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1359645424007365","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Three-dimensional phase field modeling, orientation prediction and stress field analyses of twin-twin, twin-grain boundary reactions mediated by disclinations in hexagonal close-packed metals
Crystalline defects, such as dislocations, disclinations, twins and grain boundaries, play critical roles in determining the mechanical properties of metals and alloys. In particular, with multiple competitive deformation modes activated, the mechanical behaviors of hexagonal close-packed metals are strongly influenced by the interactions and reactions of various types of defects. Despite extensive studies on the elastic interactions of defects, a theoretical framework capturing crystallographic reactions, especially reaction products and associated local stress concentration, is still unavailable. Here we suggest a disclination-based method to quantify defect reactions. By using a combination of crystallographic calculations and phase field modeling/simulations, twin-twin and twin-grain boundary reactions in hexagonal close-packed metals have been quantitatively analyzed. It has been found that partial disclinations, accompanied with other defects (e.g., and high-index twins), can be generated by defect reactions as typical byproducts. The orientation change and stress fields caused by disclination formation have been systematically calculated, which offers a rigorous mathematical foundation to explore twin-twin, twin-grain boundary reactions. By quantitatively determining defect reactions and local stress fields, our work provides new insights into the deformation mechanism and microstructure-property relationship in metallic materials.
期刊介绍:
Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.