Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT Method
Isothermal solidification process of pure metal Al was studied by molecular dynamics (MD) simulation using EAM potential. The effects of different cooling rates on the isothermal solidification process of metallic Al were studied. Al was first subjected to a rapid cooling process, and then it was an...
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| Format: | Article |
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MDPI AG
2022-09-01
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| Series: | Metals |
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| Online Access: | https://www.mdpi.com/2075-4701/12/9/1504 |
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| author | Xiaohua Chen Weijie Fan Wenwen Jiang Deye Lin Zidong Wang Xidong Hui Yanlin Wang |
| author_facet | Xiaohua Chen Weijie Fan Wenwen Jiang Deye Lin Zidong Wang Xidong Hui Yanlin Wang |
| author_sort | Xiaohua Chen |
| collection | DOAJ |
| description | Isothermal solidification process of pure metal Al was studied by molecular dynamics (MD) simulation using EAM potential. The effects of different cooling rates on the isothermal solidification process of metallic Al were studied. Al was first subjected to a rapid cooling process, and then it was annealing under isothermal conditions. The mean first-passage times (MFPT) method and Johnson-Mehl-Avrami (JMA) law were used to qualify the solidification kinetic processing, and the nucleation rate, critical nucleus size, Avrami exponent and growth exponent of grains were calculated. Results show that the nucleation rate and critical size decrease as the cooling rate increases. Also, an increase in the cooling rate leads to the increase of grain growth rate. At all investigated cooling rates, nucleation and growth processes are in the typical three-dimensional growth mode. |
| first_indexed | 2024-03-09T23:10:07Z |
| format | Article |
| id | doaj.art-c2ea0e92f3a94accb7ec4a0554148875 |
| institution | Directory Open Access Journal |
| issn | 2075-4701 |
| language | English |
| last_indexed | 2024-03-09T23:10:07Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
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| series | Metals |
| spelling | doaj.art-c2ea0e92f3a94accb7ec4a05541488752023-11-23T17:47:11ZengMDPI AGMetals2075-47012022-09-01129150410.3390/met12091504Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT MethodXiaohua Chen0Weijie Fan1Wenwen Jiang2Deye Lin3Zidong Wang4Xidong Hui5Yanlin Wang6State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, ChinaState Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, ChinaState Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, ChinaCAEP Software Center for High Performance Numerical Simulation, Beijing 100088, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaState Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaIsothermal solidification process of pure metal Al was studied by molecular dynamics (MD) simulation using EAM potential. The effects of different cooling rates on the isothermal solidification process of metallic Al were studied. Al was first subjected to a rapid cooling process, and then it was annealing under isothermal conditions. The mean first-passage times (MFPT) method and Johnson-Mehl-Avrami (JMA) law were used to qualify the solidification kinetic processing, and the nucleation rate, critical nucleus size, Avrami exponent and growth exponent of grains were calculated. Results show that the nucleation rate and critical size decrease as the cooling rate increases. Also, an increase in the cooling rate leads to the increase of grain growth rate. At all investigated cooling rates, nucleation and growth processes are in the typical three-dimensional growth mode.https://www.mdpi.com/2075-4701/12/9/1504pure metal Almolecular dynamics simulationsolidification nucleationgrowthMFPT |
| spellingShingle | Xiaohua Chen Weijie Fan Wenwen Jiang Deye Lin Zidong Wang Xidong Hui Yanlin Wang Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT Method Metals pure metal Al molecular dynamics simulation solidification nucleation growth MFPT |
| title | Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT Method |
| title_full | Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT Method |
| title_fullStr | Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT Method |
| title_full_unstemmed | Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT Method |
| title_short | Effects of Cooling Rate on the Solidification Process of Pure Metal Al: Molecular Dynamics Simulations Based on the MFPT Method |
| title_sort | effects of cooling rate on the solidification process of pure metal al molecular dynamics simulations based on the mfpt method |
| topic | pure metal Al molecular dynamics simulation solidification nucleation growth MFPT |
| url | https://www.mdpi.com/2075-4701/12/9/1504 |
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