Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method
In the present work, the first (1st) and second (2nd) nearest-neighbor interaction energies are calculated by coupling the microscopic phase-field kinetic model with the calculation of phase diagrams (CALPHAD) method. The morphological evolution of the <i>γ′</i> precipitate and the varia...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-07-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/12/7/971 |
| _version_ | 1797440104343535616 |
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| author | Zhenzhi Liu Yan Zhao Xuyu Zhang Xiao-Gang Lu Chuanjun Wang Yu Zhang |
| author_facet | Zhenzhi Liu Yan Zhao Xuyu Zhang Xiao-Gang Lu Chuanjun Wang Yu Zhang |
| author_sort | Zhenzhi Liu |
| collection | DOAJ |
| description | In the present work, the first (1st) and second (2nd) nearest-neighbor interaction energies are calculated by coupling the microscopic phase-field kinetic model with the calculation of phase diagrams (CALPHAD) method. The morphological evolution of the <i>γ′</i> precipitate and the variation of its atomic ordering parameter for Ni–X (X = Al, Fe, Mn, Pt, or Si) alloys during aging are studied. The simulation results predict different occupation preferences for solute and solvent atoms in the <i>γ′</i> phase, i.e., solute atoms are inclined to occupy the corner sites and solvent atoms tend to occupy the face sites. In order to understand the precipitation process of the <i>γ′</i> phase systematically, the ordering and clustering behaviors of solute atoms are analyzed. |
| first_indexed | 2024-03-09T12:02:19Z |
| format | Article |
| id | doaj.art-060d884bf92b4b56925b100d27395a1e |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-09T12:02:19Z |
| publishDate | 2022-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-060d884bf92b4b56925b100d27395a1e2023-11-30T23:01:30ZengMDPI AGCrystals2073-43522022-07-0112797110.3390/cryst12070971Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD MethodZhenzhi Liu0Yan Zhao1Xuyu Zhang2Xiao-Gang Lu3Chuanjun Wang4Yu Zhang5School of Materials Science and Engineering, Shanghai University, Shanghai 200444, ChinaSchool of Materials Science and Engineering, Shanghai University, Shanghai 200444, ChinaSchool of Materials Science and Engineering, Shanghai University, Shanghai 200444, ChinaSchool of Materials Science and Engineering, Shanghai University, Shanghai 200444, ChinaAnsteel Beijing Research Institute, Beijing 102211, ChinaAnsteel Beijing Research Institute, Beijing 102211, ChinaIn the present work, the first (1st) and second (2nd) nearest-neighbor interaction energies are calculated by coupling the microscopic phase-field kinetic model with the calculation of phase diagrams (CALPHAD) method. The morphological evolution of the <i>γ′</i> precipitate and the variation of its atomic ordering parameter for Ni–X (X = Al, Fe, Mn, Pt, or Si) alloys during aging are studied. The simulation results predict different occupation preferences for solute and solvent atoms in the <i>γ′</i> phase, i.e., solute atoms are inclined to occupy the corner sites and solvent atoms tend to occupy the face sites. In order to understand the precipitation process of the <i>γ′</i> phase systematically, the ordering and clustering behaviors of solute atoms are analyzed.https://www.mdpi.com/2073-4352/12/7/971microscopic phase-field kinetic modelCALPHADordering behaviors<i>γ′</i> precipitates |
| spellingShingle | Zhenzhi Liu Yan Zhao Xuyu Zhang Xiao-Gang Lu Chuanjun Wang Yu Zhang Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method Crystals microscopic phase-field kinetic model CALPHAD ordering behaviors <i>γ′</i> precipitates |
| title | Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method |
| title_full | Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method |
| title_fullStr | Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method |
| title_full_unstemmed | Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method |
| title_short | Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method |
| title_sort | microscopic phase field simulation of i γ i precipitation in ni based binary alloys coupled with calphad method |
| topic | microscopic phase-field kinetic model CALPHAD ordering behaviors <i>γ′</i> precipitates |
| url | https://www.mdpi.com/2073-4352/12/7/971 |
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