Molecular dynamics simulation study on the tensile behavior of FeC alloy

Li Jiajun; Sun Miao; Wu Huijuan; Lü Shining; Gao Youshan; Wang Aihong

doi:10.7513/j.issn.1004-7638.2024.04.022

Volume 45 Issue 4

Aug. 2024

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Article Navigation > IRON STEEL VANADIUM TITANIUM > 2024 > 45(4): 158-162

Li Jiajun, Sun Miao, Wu Huijuan, Lü Shining, Gao Youshan, Wang Aihong. Molecular dynamics simulation study on the tensile behavior of FeC alloy[J]. IRON STEEL VANADIUM TITANIUM, 2024, 45(4): 158-162. doi: 10.7513/j.issn.1004-7638.2024.04.022

Citation:

Li Jiajun, Sun Miao, Wu Huijuan, Lü Shining, Gao Youshan, Wang Aihong. Molecular dynamics simulation study on the tensile behavior of FeC alloy[J]. IRON STEEL VANADIUM TITANIUM, 2024, 45(4): 158-162. doi: 10.7513/j.issn.1004-7638.2024.04.022

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Molecular dynamics simulation study on the tensile behavior of FeC alloy

doi: 10.7513/j.issn.1004-7638.2024.04.022

1.
College of Mechanical Engineering, Taiyuan University of Science and Technology, Taiyuan 030024, Shanxi, China
2.
Taiyuan Heavy Industry Co.,Ltd., Taiyuan 030024, Shanxi, China

Received Date: 2023-06-29
Publish Date: 2024-08-30

Abstract

Abstract

In order to investigate the effects of temperature and strain rate on the micro-mechanical properties of FeC alloys, molecular dynamics methods were used to simulate the tensile properties of FeC alloys. The stress-strain curves of FeC alloys at different temperatures and strain rates were obtained and analyzed, and the data was processed using MATLAB. A mathematical model was established to predict the elastic modulus and yield strength of FeC alloys calculated on the basis of temperature and strain rate. The results show that the maximum absolute errors between the simulation and the prediction values by the mathematical model of elastic modulus and yield strength are 2.680 GPa and 0.079 GPa, respectively. The maximum relative errors are 1.680% and 0.737%, respectively. The mathematical prediction model can effectively predict the elastic modulus and yield strength to a certain extent.
- FeC alloy,
- mechanical properties,
- molecular dynamics,
- elastic modulus,
- yield strength

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References

[1]	叶天舟, 姚欢, 巫英伟, 等. FeCrAl合金拉伸力学性能分子动力学研究[J]. 稀有金属材料与工程, 2023, 52(2): 777-784. Ye Tianzhou, Yao Huan, Wu Yingwei, et al. Molecular dynamics study on tensile mechanical properties of FeCrAl alloy[J].Rare Metal Materials and Engineering, 2023, 52(2): 777-784.
[2]	Zhou Jikai, Zhu Qinghua. Molecular dynamics of temperature and strain rate effects of dynamic tensile mechanical properties of FeC alloy[J]. Science Technology and Engineering, 2019,19(11):61-66. (周继凯, 朱清华. FeC 合金动态拉伸力学性能温度和应变率效应分子动力学[J]. 科学技术与工程, 2019,19(11):61-66. Zhou Jikai, Zhu Qinghua. Molecular dynamics of temperature and strain rate effects of dynamic tensile mechanical properties of Fe-C alloy[J]. Science Technology and Engineering, 2019, 19( 11): 61-66
[3]	Wu Qian, Wang Yong, Han Tao, et al.Molecular dynamics simulations of the effect of temperature and strain rate on the plastic deformation of body centred cubic iron nanowires[J].Journal of Engineering Materials and Technology, 2021, 143: 031007.
[4]	曾强, 王丽娟, 陈韬, 等. 纳米孪晶与Fe 掺杂对SLM-Al 力学性能影响的分子动力学模拟[J]. 稀有金属材料与工程, 2023, 52(1): 145-152. Zeng Qiang, Wang Lijuan, Chen Tao, et al. Molecular dynamics simulation on effect of nano-twin and Fe doping on mechanical roperties of SLM-Al[J]. Rare Metal Materials and Engineering, 2023, 52 (1): 145-152.
[5]	Zheng Wei, Han Junzhao, Duan Xing, et al. Mechanical properties of Al_0.1CoCrFeNi high entropy alloy based on molecular dynamics study[J]. Rare Metal Materials and Engineering, 2022,51(9):3230-3235.
[6]	Wang Yuntian, Zeng Xiangguo, Yang Xin. Molecular dynamics simulation of effect of temperature on oid nucleation and growth of single crystal ron at a high strain rate[J]. Acta Phys. Sin, 2019,68(24):246102. (王云天, 曾祥国, 杨鑫. 高应变率下温度对单晶铁中孔洞成核与生长影响的分子动力学研究[J]. 物理学报, 2019,68(24):246102. doi: 10.7498/aps.68.20190920 Wang Yun -Tian, Zeng Xiang -Guo, Yang Xin. Molecular dynamics simulation of effect of temperature on oid nucleation and growth of single crystal ron at a high strain rate[J]. Acta Phys. Sin. 2019, 68(24): 246102 doi: 10.7498/aps.68.20190920
[7]	Aidan P Thompson, H Metin Aktulga, Richard Berger, et al. LAMMPS - a flexible simulation tool for particle-based materials odeling at the atomic, meso, and continuum scales[J]. Computer Physics Communications, 2022,271:108171. doi: 10.1016/j.cpc.2021.108171
[8]	Zhang Chuntao, Zhu Hongjie, Zhu Li. Effect of interaction between corrosion and high temperature on mechanical properties of Q355 structural steel[J]. Construction and Building Materials, 2021,271:121605. doi: 10.1016/j.conbuildmat.2020.121605
[9]	Derek J Hepburn, Graeme J Ackland. Metallic-covalent interatomic potential for carbon in iron[J]. Physical Review B, 78(16), 165115.
[10]	Zhu Lhshan, Zhao Shijin. Influence of Ni on Cu precipitation in Fe-Cu-Ni ternary alloy by an atomic study[J]. Chinese Physics B, 2014,23(6):193-198.