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

TThe 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.

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Work Title Multi-scale simulation of Al-Cu-Cd alloy for yield strength prediction of large components in quenching-aging process
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Open Access
Creators
  1. Xianyue Liu
  2. Gang Wang
  3. Yisen Hu
  4. Yanzhou Ji
  5. Yiming Rong
  6. Yuanzhong Hu
  7. Long-qing Chen
Keyword
  1. Multiscale simulation
  2. Al–Cu–Cd alloy
  3. Density functional theory
  4. Phase-field modeling
  5. Quenching-aging
License In Copyright (Rights Reserved)
Work Type Article
Publisher
  1. Materials Science & Engineering A
Publication Date May 13, 2021
Publisher Identifier (DOI)
  1. https://doi.org/10.1016/j.msea.2021.141223
Deposited August 10, 2022

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  • Added Creator Sandra Elder
  • Added Multi-scale simulation of Al–Cu–Cd alloy for yield strength prediction of large components in quenching-aging process.pdf
  • Updated License Show Changes
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    • https://rightsstatements.org/page/InC/1.0/
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  • Updated Keyword, Publisher, Publisher Identifier (DOI) Show Changes
    Keyword
    • Multiscale simulation, Al–Cu–Cd alloy, Density functional theory, Phase-field modeling, Quenching-aging
    Publisher
    • Materials Science & Engineering A
    Publisher Identifier (DOI)
    • https://doi.org/10.1016/j.msea.2021.141223
  • Deleted Creator Sandra Elder
  • Added Creator Xianyue Liu
  • Added Creator Gang Wang
  • Added Creator Yisen Hu
  • Added Creator Yanzhou Ji
  • Added Creator Yiming Rong
  • Added Creator Yuanzhong Hu
  • Added Creator Long-qing Chen
  • Updated Description Show Changes
    Description
    • 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 0? phase in an Al?Cu?Cd alloy were obtained by the total energies of the ?+0? 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 0? 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.
    • TThe mechanical properties of AlCu 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.
  • Updated