FexCy micro-mechanical properties based on response surface methodology and molecular dynamics

WEI Lixin; GAO Ling; LÜ Shining; GAO Youshan

doi:10.7513/j.issn.1004-7638.2025.01.026

Volume 46 Issue 1

Feb. 2025

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WEI Lixin, GAO Ling, LÜ Shining, GAO Youshan. FexCy micro-mechanical properties based on response surface methodology and molecular dynamics[J]. IRON STEEL VANADIUM TITANIUM, 2025, 46(1): 184-191. doi: 10.7513/j.issn.1004-7638.2025.01.026

Citation:

WEI Lixin, GAO Ling, LÜ Shining, GAO Youshan. Fe_xC_y micro-mechanical properties based on response surface methodology and molecular dynamics[J]. IRON STEEL VANADIUM TITANIUM, 2025, 46(1): 184-191. doi: 10.7513/j.issn.1004-7638.2025.01.026

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Fe_xC_y micro-mechanical properties based on response surface methodology and molecular dynamics

doi: 10.7513/j.issn.1004-7638.2025.01.026

1.
Department of Mechanical Engineering, Shanxi Institute of Technology, Yangquan 045000, Shanxi, China
2.
School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China
3.
School of Mechanical Engineering, Taiyuan University of Science and Technology, Taiyuan 030024, Shanxi, China

Received Date: 2023-12-29
Publish Date: 2025-02-27

Abstract

Abstract

This research is to investigate the mechanical properties of different carbon steel materials at different temperatures. The simulation model was established by using molecular dynamics, and the regression model was established by the three-factor multi-level orthogonal test and response surface method to study the effects of C content, vacancy ratio and temperature on Young’s modulus and yield strength. Under the same C content and vacancy ratio conditions, 50 models were established by using the random function of Matlab, and each test condition was simulated 50 times. The median of Young’s modulus and yield limit were used as key parameters of the mechanical properties of the reaction materials, and the response surface regression model was established. By randomly selecting 10 groups of simulation experiments, this study successfully explored the influence of different factors on the mechanical properties of carbon steels, obtaining a reliable mathematical model of materials mechanical parameters, and optimizing the composition of materials.
- molecular dynamics,
- response surface analysis,
- Young’s modulus,
- yield strength

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References(10)

References

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