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May 29, 2024
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August 16, 2024
Published
December 1, 2024
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Abstract

Complex concentrated alloys have been thoroughly examined for their excellent mechanical properties. In the present study, phase transitions and mechanisms of dislocation for FeNiCrCoAl and FeNiCrCoTi complex concentrated alloys were examined using classical molecular dynamics simulations under uniaxial tension. The (LAMMPS) code was used to simulate CCAs systems by using EAM potentials. The effect of strain rate change has been taken into account. The results show that at the early plastic stage, the main deformation behavior is the transition from FCC to HCP phase. Moreover, tensile characteristics are negatively affected by strain rate rise.  At strain rate value of , for FeNiCrCoAl, elastic modulus and density are computed to be  and . Whereas, for FeNiCrCoTi, elastic modulus and density are calculated to be  and . It can be noticed that elasticity modulus of FeNiCrCoAl is two times greater than that of FeNiCrCoTi. In contrast, young modulus of complex concentrated alloys decreases succinctly when the strain rate increases to a value of . Under tensile deformation, the movement direction and impact on mechanical properties of the prevalent 1/6 <112> Shockley partial dislocations are analyzed.

Keywords

Complex concentrated alloys, Tension properties, Molecular dynamics

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Copyright (c) 2024 The Author(s), under exclusive license to the University of Thi-Qar

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This work is licensed under a Creative Commons Attribution 4.0 International License.

References

  1. Alabd Alhafez, I., Ruestes, C. J., Bringa, E. M., & Urbassek, H. M. (2019). Nanoindentation into a high-entropy alloy – An atomistic study. Journal of Alloys and Compounds, 803, 618–624. https://doi.org/10.1016/j.jallcom.2019.06.277
  2. Bhattacharjee, T., Wani, I. S., Sheikh, S., Clark, I. T., Okawa, T., Guo, S., Bhattacharjee, P. P., & Tsuji, N. (2018). Simultaneous Strength-Ductility Enhancement of a Nano-Lamellar AlCoCrFeNi2.1 Eutectic High Entropy Alloy by Cryo-Rolling and Annealing. Scientific Reports, 8(1), 3276. https://doi.org/10.1038/s41598-018-21385-y
  3. Fan, P., Katiyar, N. K., Zhou, X., & Goel, S. (2022). Uniaxial pulling and nano-scratching of a newly synthesized high entropy alloy. APL Materials, 10(11). https://doi.org/10.1063/5.0128135
  4. Fang, Q., Chen, Y., Li, J., Jiang, C., Liu, B., Liu, Y., & Liaw, P. K. (2019). Probing the phase transformation and dislocation evolution in dual-phase high-entropy alloys. International Journal of Plasticity, 114, 161–173. https://doi.org/10.1016/j.ijplas.2018.10.014
  5. Farkas, D., & Caro, A. (2020). Model interatomic potentials for Fe–Ni–Cr–Co–Al high-entropy alloys. Journal of Materials Research, 35(22), 3031–3040. https://doi.org/10.1557/jmr.2020.294
  6. Honeycutt, J. Dana., & Andersen, H. C. (1987). Molecular dynamics study of melting and freezing of small Lennard-Jones clusters. The Journal of Physical Chemistry, 91(19), 4950–4963. https://doi.org/10.1021/j100303a014
  7. Kim, J.-K., Kim, J. H., Park, H., Kim, J.-S., Yang, G., Kim, R., Song, T., Suh, D.-W., & Kim, J. (2022). Temperature-dependent universal dislocation structures and transition of plasticity enhancing mechanisms of the Fe40Mn40Co10Cr10 high entropy alloy. International Journal of Plasticity, 148, 103148. https://doi.org/10.1016/j.ijplas.2021.103148
  8. Li, J., Chen, H., Fang, Q., Jiang, C., Liu, Y., & Liaw, P. K. (2020). Unraveling the dislocation–precipitate interactions in high-entropy alloys. International Journal of Plasticity, 133, 102819. https://doi.org/10.1016/j.ijplas.2020.102819
  9. Li, Q., Bao, X., Zhao, S., Zhu, Y., Lan, Y., Feng, X., & Zhang, Q. (2021). The Influence of AlFeNiCrCoTi High-Entropy Alloy on Microstructure, Mechanical Properties and Tribological Behaviors of Aluminum Matrix Composites. International Journal of Metalcasting, 15(1), 281–291. https://doi.org/10.1007/s40962-020-00462-x
  10. Liang, A., Goodelman, D. C., Hodge, A. M., Farkas, D., & Branicio, P. S. (2023). CoFeNiTi and CrFeNiTi high entropy alloy thin films microstructure formation. Acta Materialia, 257, 119163. https://doi.org/10.1016/j.actamat.2023.119163
  11. Liu, C., Yang, Y., & Xia, Z. (2020). Deformation mechanism in Al (0.1) CoCrFeNi Sigma3(111)[11̄0] high entropy alloys – molecular dynamics simulations. RSC Advances, 10(46), 27688–27696. https://doi.org/10.1039/D0RA01885F
  12. Luo, G., Li, L., Fang, Q., Li, J., Tian, Y., Liu, Y., Liu, B., Peng, J., & Liaw, P. K. (2021). Microstructural evolution and mechanical properties of FeCoCrNiCu high entropy alloys: a microstructure-based constitutive model and a molecular dynamics simulation study. Applied Mathematics and Mechanics, 42(8), 1109–1122. https://doi.org/10.1007/s10483-021-2756-9
  13. Mu, R., Wang, Y., Niu, S., Sun, K., & Yang, Z. (2023). Wetting of FeCoCrNiTi0.2 high entropy alloy on the (HfZrTiTaNb)C high entropy ceramic. Journal of the European Ceramic Society, 43(16), 7263–7272. https://doi.org/10.1016/j.jeurceramsoc.2023.07.065
  14. Otto, F., Dlouhý, A., Somsen, Ch., Bei, H., Eggeler, G., & George, E. P. (2013). The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy. Acta Materialia, 61(15), 5743–5755. https://doi.org/10.1016/j.actamat.2013.06.018
  15. Plimpton, S. (1995). Fast Parallel Algorithms for Short-Range Molecular Dynamics. Journal of Computational Physics, 117(1), 1–19. https://doi.org/10.1006/jcph.1995.1039
  16. Qi, Y., Xu, H., He, T., Wang, M., & Feng, M. (2021). Atomistic simulation of deformation behaviors polycrystalline CoCrFeMnNi high-entropy alloy under uniaxial loading. International Journal of Refractory Metals and Hard Materials, 95, 105415. https://doi.org/10.1016/j.ijrmhm.2020.105415
  17. Qi, Y., Zhao, M., & Feng, M. (2021). Molecular simulation of microstructure evolution and plastic deformation of nanocrystalline CoCrFeMnNi high-entropy alloy under tension and compression. Journal of Alloys and Compounds, 851, 156923. https://doi.org/10.1016/j.jallcom.2020.156923
  18. Qin, G., Xue, W., Chen, R., Zheng, H., Wang, L., Su, Y., Ding, H., Guo, J., & Fu, H. (2019). Grain refinement and FCC phase formation in AlCoCrFeNi high entropy alloys by the addition of carbon. Materialia, 6, 100259. https://doi.org/10.1016/j.mtla.2019.100259
  19. Rao, K. R., Dewangan, S. K., Seikh, A. H., Sinha, S. K., & Ahn, B. (2024). Microstructure and Mechanical Characteristics of AlCoCrFeNi-Based ODS High-Entropy Alloys Consolidated by Vacuum Hot Pressing. Metals and Materials International, 30(3), 726–734. https://doi.org/10.1007/s12540-023-01530-7
  20. Raturi, A., Biswas, K., & Gurao, N. P. (2021). A mechanistic perspective on the kinetics of plastic deformation in FCC High Entropy Alloys: Effect of strain, strain rate and temperature. Scripta Materialia, 197, 113809. https://doi.org/10.1016/j.scriptamat.2021.113809
  21. Ren, H., Chen, R. R., Gao, X. F., Liu, T., Qin, G., Wu, S. P., & Guo, J. J. (2022). Phase formation and mechanical features in (AlCoCrFeNi)100-Hf high-entropy alloys: The role of Hf. Materials Science and Engineering: A, 858, 144156. https://doi.org/10.1016/j.msea.2022.144156
  22. Ruestes, C. J., & Farkas, D. (2022). Dislocation emission and propagation under a nano-indenter in a model high entropy alloy. Computational Materials Science, 205, 111218. https://doi.org/10.1016/j.commatsci.2022.111218
  23. Stukowski, A. (2010). Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool. Modelling and Simulation in Materials Science and Engineering, 18(1), 015012. https://doi.org/10.1088/0965-0393/18/1/015012
  24. Stukowski, A., & Albe, K. (2010). Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. Modelling and Simulation in Materials Science and Engineering, 18(8), 085001. https://doi.org/10.1088/0965-0393/18/8/085001
  25. Tsai, C.-W., Tsai, M.-H., Tsai, K.-Y., Chang, S.-Y., Yeh, J.-W., & Yeh, A.-C. (2015). Microstructure and tensile properties of Al 0.5 CoCrCuFeNi alloys produced by simple rolling and annealing. Materials Science and Technology, 31(10), 1178–1183. https://doi.org/10.1179/1743284714Y.0000000754
  26. Verlet, L. (1967). Computer “Experiments” on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules. Physical Review, 159(1), 98–103. https://doi.org/10.1103/PhysRev.159.98
  27. Wang, L., Qiao, J. W., Ma, S. G., Jiao, Z. M., Zhang, T. W., Chen, G., Zhao, D., Zhang, Y., & Wang, Z. H. (2018). Mechanical response and deformation behavior of Al0.6CoCrFeNi high-entropy alloys upon dynamic loading. Materials Science and Engineering: A, 727, 208–213. https://doi.org/10.1016/j.msea.2018.05.001
  28. Wang, Q., Lu, Y., Yu, Q., & Zhang, Z. (2018). The Exceptional Strong Face-centered Cubic Phase and Semi-coherent Phase Boundary in a Eutectic Dual-phase High Entropy Alloy AlCoCrFeNi. Scientific Reports, 8(1), 14910. https://doi.org/10.1038/s41598-018-33330-0
  29. Wu, J., Yang, Z., Xian, J., Gao, X., Lin, D., & Song, H. (2020). Structural and Thermodynamic Properties of the High-Entropy Alloy AlCoCrFeNi Based on First-Principles Calculations. Frontiers in Materials, 7. https://doi.org/10.3389/fmats.2020.590143
  30. Yang, F., Cai, J., Zhang, Y., & Lin, J. (2022). Temperature and Crystalline Orientation-Dependent Plastic Deformation of FeNiCrCoMn High-Entropy Alloy by Molecular Dynamics Simulation. Metals, 12(12), 2138. https://doi.org/10.3390/met12122138
  31. Yang, T., Tang, Z., Xie, X., Carroll, R., Wang, G., Wang, Y., Dahmen, K. A., Liaw, P. K., & Zhang, Y. (2017). Deformation mechanisms of Al0.1CoCrFeNi at elevated temperatures. Materials Science and Engineering: A, 684, 552–558. https://doi.org/10.1016/j.msea.2016.12.110
  32. Yang, T., Xia, S., Liu, S., Wang, C., Liu, S., Zhang, Y., Xue, J., Yan, S., & Wang, Y. (2015). Effects of AL addition on microstructure and mechanical properties of Al CoCrFeNi High-entropy alloy. Materials Science and Engineering: A, 648, 15–22. https://doi.org/10.1016/j.msea.2015.09.034
  33. Zhu, Y. T., Liao, X. Z., & Wu, X. L. (2012). Deformation twinning in nanocrystalline materials. Progress in Materials Science, 57(1), 1–62. https://doi.org/10.1016/j.pmatsci.2011.05.001