Effect of interface type on deformation mechanisms of γ-TiAl alloy under different temperatures and strain rates by molecular dynamics simulation

IF 3.4 3区 工程技术 Q1 MECHANICS International Journal of Solids and Structures Pub Date : 2024-08-28 DOI:10.1016/j.ijsolstr.2024.113051
Junqin Shi , Lulu Xu , Yang Lu , Lulu Li , Biqiang Chen , Junjie Lu
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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.

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分子动力学模拟不同温度和应变速率下界面类型对 γ-TiAl 合金变形机制的影响
晶体界面通过协调强度和延展性在强化片状γ-TiAl合金方面发挥着重要作用。本文通过分子动力学模拟研究了温度和应变速率对三种片状γ-TiAl界面模型拉伸变形的影响。由于界面效应不同,伪孪晶(PT)、旋转边界(RB)和真孪晶(TT)这三种界面表现出不同的拉伸响应:TT 界面仅作为位错穿越的屏障,促进裂纹扩展;PT 界面既是位错屏障又是发射源,比 TT 界面有更强的应变能释放,延缓裂纹扩展;RB 界面由于裂纹尖端的钝化和偏转以及最佳的界面几何兼容性,可以延缓和抵抗裂纹扩展。缺陷演化表明,温度升高抑制了低应变速率下的位错扩展,而高应变速率则会在低温下沿拉伸方向产生小的片状堆叠断层和狭缝形孔。此外,高应变率和低温的双重条件诱导了从 FCC 到 BCC,再从 BCC 到 HCP 的相变。这些发现为理解界面介导变形的原子机制提供了具体的见解。
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来源期刊
CiteScore
6.70
自引率
8.30%
发文量
405
审稿时长
70 days
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.
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