Junqin Shi , Lulu Xu , Yang Lu , Lulu Li , Biqiang Chen , Junjie Lu
{"title":"Effect of interface type on deformation mechanisms of γ-TiAl alloy under different temperatures and strain rates by molecular dynamics simulation","authors":"Junqin Shi , Lulu Xu , Yang Lu , Lulu Li , Biqiang Chen , Junjie Lu","doi":"10.1016/j.ijsolstr.2024.113051","DOIUrl":null,"url":null,"abstract":"<div><p>Crystalline interface plays a significant role in strengthening lamellar γ-TiAl alloys through reconciling the strength and ductility. Herein, the effects of temperature and strain rate on the tensile deformation of three lamellar γ-TiAl interface models are investigated by molecular dynamics simulations. The three interfaces, pseudo twin (PT), rotational boundary (RB), and true twin (TT), exhibit different tensile responses due to the different interface effects: TT interface only acts as a barrier of dislocation traversing to facilitate crack extension; PT interface acts as both dislocation barrier and emission source and has a stronger release of strain energy than TT interface, retarding the crack extension; RB interface can retard and resist crack extension due to the blunting and deflection of the crack tip and the best interface geometry compatibility. The defect evolution indicates that the elevated temperature suppresses dislocation propagation at low strain rate, while the high strain rate causes small lamellar stacking faults and slit-shaped holes along tensile direction at low temperature. In addition, the dual conditions of high strain rate and low temperature induce the phase transition from FCC to BCC and then BCC to HCP. These findings provide a specific insight to understand the atomistic mechanism of interface-mediated deformation.</p></div>","PeriodicalId":14311,"journal":{"name":"International Journal of Solids and Structures","volume":null,"pages":null},"PeriodicalIF":3.4000,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Solids and Structures","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0020768324004104","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MECHANICS","Score":null,"Total":0}
引用次数: 0
Abstract
Crystalline interface plays a significant role in strengthening lamellar γ-TiAl alloys through reconciling the strength and ductility. Herein, the effects of temperature and strain rate on the tensile deformation of three lamellar γ-TiAl interface models are investigated by molecular dynamics simulations. The three interfaces, pseudo twin (PT), rotational boundary (RB), and true twin (TT), exhibit different tensile responses due to the different interface effects: TT interface only acts as a barrier of dislocation traversing to facilitate crack extension; PT interface acts as both dislocation barrier and emission source and has a stronger release of strain energy than TT interface, retarding the crack extension; RB interface can retard and resist crack extension due to the blunting and deflection of the crack tip and the best interface geometry compatibility. The defect evolution indicates that the elevated temperature suppresses dislocation propagation at low strain rate, while the high strain rate causes small lamellar stacking faults and slit-shaped holes along tensile direction at low temperature. In addition, the dual conditions of high strain rate and low temperature induce the phase transition from FCC to BCC and then BCC to HCP. These findings provide a specific insight to understand the atomistic mechanism of interface-mediated deformation.
期刊介绍:
The International Journal of Solids and Structures has as its objective the publication and dissemination of original research in Mechanics of Solids and Structures as a field of Applied Science and Engineering. It fosters thus the exchange of ideas among workers in different parts of the world and also among workers who emphasize different aspects of the foundations and applications of the field.
Standing as it does at the cross-roads of Materials Science, Life Sciences, Mathematics, Physics and Engineering Design, the Mechanics of Solids and Structures is experiencing considerable growth as a result of recent technological advances. The Journal, by providing an international medium of communication, is encouraging this growth and is encompassing all aspects of the field from the more classical problems of structural analysis to mechanics of solids continually interacting with other media and including fracture, flow, wave propagation, heat transfer, thermal effects in solids, optimum design methods, model analysis, structural topology and numerical techniques. Interest extends to both inorganic and organic solids and structures.