{"title":"The role of {101¯2} tension and {112¯2} compression twins on the α to ω phase transformation in Ti","authors":"Khanh Dang, Laurent Capolungo","doi":"10.1016/j.scriptamat.2025.116867","DOIUrl":null,"url":null,"abstract":"<div><div>The role of preexisting twin networks on the phase transformation from hexagonal close packed (HCP) <span><math><mi>α</mi></math></span> Ti to <span><math><mi>ω</mi></math></span> hexagonal Ti remains relatively unexplored. In this work, we study these effects from both thermodynamics and kinetics standpoints. We utilize an isotropic and linear elasticity micromechanical model alongside MD simulations to determine the effects of preexisting twins on the stability of <span><math><mi>ω</mi></math></span> nucleus. It is found that from a thermodynamic standpoint, both preexisting <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> tension 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> compression twins promote nucleation of <span><math><mi>ω</mi></math></span> nucleus (with non-cozone orientation relationship) within the twin, with the former having a greater effect in reducing the critical radius and thus the overall activation barrier. MD simulations reveal that the growth of the <span><math><mi>ω</mi></math></span> nucleus is stopped by the <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> CTB but not the <span><math><mrow><mo>{</mo><mrow><mn>10</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>2</mn></mrow><mo>}</mo></mrow></math></span> CTB; thereby showing the role of short-range pinning of boundaries.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116867"},"PeriodicalIF":5.6000,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scripta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1359646225003306","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The role of preexisting twin networks on the phase transformation from hexagonal close packed (HCP) Ti to hexagonal Ti remains relatively unexplored. In this work, we study these effects from both thermodynamics and kinetics standpoints. We utilize an isotropic and linear elasticity micromechanical model alongside MD simulations to determine the effects of preexisting twins on the stability of nucleus. It is found that from a thermodynamic standpoint, both preexisting tension and compression twins promote nucleation of nucleus (with non-cozone orientation relationship) within the twin, with the former having a greater effect in reducing the critical radius and thus the overall activation barrier. MD simulations reveal that the growth of the nucleus is stopped by the CTB but not the CTB; thereby showing the role of short-range pinning of boundaries.
期刊介绍:
Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.