Multi-scale simulation of Al–Cu–Cd alloy for yield strength prediction of large components in quenching-aging process

Liu，Xianyue1,2; Wang，Gang1,3; Hu，Yisen1,3; Ji，Yanzhou4; Rong，Yiming1,2; Hu，Yuanzhong1; Chen，Long qing4

2021-05-13

10.1016/j.msea.2021.141223

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING   影响因子和分区

0921-5093

The mechanical properties of Al–Cu alloys mainly depend on the manufacturing process, especially the heat treatment including quenching-aging process. In this paper, a multiscale model was proposed to simulate the quenching and aging process. Modified quench factor analysis(QFA) was used to simulate the quenching process and to integrate the quenching and aging process. The interfacial energies of the θ’ phase in an Al–Cu–Cd alloy were obtained by the total energies of the α+θ’ phase supercells with Cd atom segregation and the segregation energies of Cd atoms, which were calculated by using density functional theory(DFT) at the atomic scale. Moreover, the new interfacial energies and the compositions of the samples were utilized as the input parameters for the modified phase-field model(PFM) at the microscopic scale. The mean diameter of the θ’ phase and yield strength were validated by the experimental data. Based on the results of PFM, the aging process of a large component was calculated by finite element method(FEM) at the macroscopic scale.

Al–Cu–Cd alloy Density functional theory Multiscale simulation Phase-field modeling Quenching-aging

SCI ; EI

英语

其他

WOS:000647780900003

20211610223732

Atoms ; Copper alloys ; Density functional theory ; Interfacial energy ; Segregation (metallography) ; Yield stress

Metallography:531.2 ; Heat Treatment Processes:537.1 ; Copper Alloys:544.2 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4 ; Materials Science:951

MATERIALS SCIENCE

2-s2.0-85104142915

Scopus

1.State Key Laboratory of Tribology & Institute of Manufacturing Engineering,Department of Mechanical Engineering,Tsinghua University,Beijing,100084,China
2.Mechanical and Energy Engineering Department,Southern University of Science and Technology,Shenzhen,518055,China
3.Beijing Key Lab of Precision/Ultra-precision Manufacturing Equipments and Control,Tsinghua University,Beijing,100084,China
4.Department of Materials Science and Engineering,The Pennsylvania State University,University Park,16802,United States

Liu，Xianyue,Wang，Gang,Hu，Yisen,等. Multi-scale simulation of Al–Cu–Cd alloy for yield strength prediction of large components in quenching-aging process[J]. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING,2021,814.

Liu，Xianyue.,Wang，Gang.,Hu，Yisen.,Ji，Yanzhou.,Rong，Yiming.,...&Chen，Long qing.(2021).Multi-scale simulation of Al–Cu–Cd alloy for yield strength prediction of large components in quenching-aging process.MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING,814.

Liu，Xianyue,et al."Multi-scale simulation of Al–Cu–Cd alloy for yield strength prediction of large components in quenching-aging process".MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING 814(2021).