Revisiting precipitates in Al-Cu-Li alloys: Experiments and first-principles calculations of thermodynamic stability of Al2CuLi(T1) precipitate

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作   者：

Agustianingrum M.P.;  Verma S.K.;  Zulfikar N.;  Cho H.;  Listyawan T.A.;  Kim H.;  Jung C.;  Zargaran A.;  Kim K.;  Petschke D.;  Lotter F.;  Staab T.E.M.;  Tang S.;  Cao L.;  Kim S.-H.; 

作者机构：

International Joint Laboratory for Light Alloys (Ministry of Education) College of Materials Sciences and Engineering Chongqing University;  Graduate Institute of Ferrous and Eco Materials Technology Pohang University of Science and Technology;  Advanced Materials Research Division Korea Institute of Machinery and Materials;  Department of Chemistry (LCTM) University Würzburg; 

关键词：

Precipitation;  Transmission electron microscopy;  Computer simulations;  Atomic scale structure;  X-ray and gamma-ray spectroscopies;  Thermodynamic properties;  TEM; 

期刊名称：

Journal of Alloys and Compounds

i s s n：

0925-8388

年卷期：

2024 年 991 卷

页   码：

174495-

页   码：

摘   要：

We recently proposed two atomic structures of the Al2CuLi (T1) phase using first-principles density functional theory calculations. Here, we find that both the previously proposed T1 phases (Al6Cu4Li3, Al13Cu7Li6) are predicted using X-ray absorption fine structure (XAFS) spectroscopy. It is found that the semi-coherent T1/Al interface of two T1 phases shows approximately 0.70 J/m2 with Al-Li termination at interface. Thus, there is a coexistence of both T1 phases in Al-Cu-Li alloys based on our computations. It is also found that the T1 formation is controlled by Ag and Mg solute segregations at interface over Cu/Li ratio based on bulk thermodynamics.