Study of Phase Transformations and Interface Evolution in Carbon Steel under Temperatures and Loads Using Molecular Dynamics Simulation
Abstract
:1. Introduction
2. Simulation Methods
2.1. Model Setup
2.1.1. Carbon Steel Modelling
2.1.2. α/γ Interface Modelling
2.2. Potential Energy Functions
2.3. Simulation Process
3. Results and Discussion
3.1. The Volume Hysteresis of Phase Transition
3.2. Atomic Structure and Dislocation Characteristics of Phase Transition
3.3. Phase Diagram Calculation of Carbon Steel
3.4. Stress–Time Relationship under Temperature Effect
3.5. Migration of α/γ Phase Interface under Varying Loading
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Initial Pressure | 30 MPa | 40 MPa | 50 MPa |
---|---|---|---|
Start Time (ps) | 32 | 29 | 27 |
Final Time (ps) | 42 | 38 | 35 |
Start Pressure (GPa) | 36 | 38 | 37 |
Final Pressure (GPa) | 228 | 249 | 258 |
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Wen, C.; Li, Z.; Wu, H.; Gu, J. Study of Phase Transformations and Interface Evolution in Carbon Steel under Temperatures and Loads Using Molecular Dynamics Simulation. Metals 2024, 14, 752. https://doi.org/10.3390/met14070752
Wen C, Li Z, Wu H, Gu J. Study of Phase Transformations and Interface Evolution in Carbon Steel under Temperatures and Loads Using Molecular Dynamics Simulation. Metals. 2024; 14(7):752. https://doi.org/10.3390/met14070752
Chicago/Turabian StyleWen, Chao, Zhengminqing Li, Hongyan Wu, and Jianfeng Gu. 2024. "Study of Phase Transformations and Interface Evolution in Carbon Steel under Temperatures and Loads Using Molecular Dynamics Simulation" Metals 14, no. 7: 752. https://doi.org/10.3390/met14070752