THE EFFECT OF INDENTER SIZE ON THE DEFORMATION MECHANISM AND DISLOCATION MOTION IN CoCrFeNiCu HEA COATING ON Cu SUBSTRATE USING MOLECULAR DYNAMICS SIMULATION
Abstract
In this study, we used molecular dynamics (MD) simulations to analyze the deformation behavior of CoCrFeNiCu HEA coatings on Cu substrates, with the radius of the indenter as a simulation variable. Employing dislocation extraction analysis (DXA) and common neighbor analysis (CNA), we evaluated the change in the deformation morphology of atoms subjected to stress shear strain > 0.1. At the same time, the study also predicted the direction of dislocation motion, determined the orientation and shape of the Burgers vector, and the evolution of the dislocation length during the nanoindentation process. The results demonstrate the protective performance of the HEA coating on the Cu substrate and serve as a theoretical basis for applying HEA coatings in manufacturing industries.
References
Farkas, D., & Caro, A., Model interatomic potentials and lattice strain in a high-entropy alloy. Journal of Materials Research, 2018, 33(19), pp. 3218-3225.
Yeh, J. W., Chen, S. K., Lin, S. J., Gan, J. Y., Chin, T. S., Shun, T. T., ... & Chang, S. Y., Nanostructured high‐entropy alloys with multiple principal elements: novel alloy design concepts and outcomes. Advanced engineering materials, 2004, 6(5), pp. 299-303.
Thangaraju, S., Bouzy, E., & Hazotte, A., Phase stability of a mechanically alloyed CoCrCuFeNi high entropy alloy. Advanced Engineering Materials, 2017, 19(8), 1700095.
Zhang, H., He, Y. Z., Pan, Y., & Guo, S., Thermally stable laser cladded CoCrCuFeNi highentropy alloy coating with low stacking fault energy. Journal of alloys and compounds, 2014, 600, pp. 210-214.
Verma, A., Tarate, P., Abhyankar, A. C., Mohape, M. R., Gowtam, D. S., Deshmukh, V. P., & Shanmugasundaram, T., High temperature wear in CoCrFeNiCux high entropy alloys: The role of Cu. Scripta Materialia, 2019, 161, pp. 28-31.
Shen, Y., & Spearot, D. E., Mobility of dislocations in FeNiCrCoCu high entropy alloys. Modelling and Simulation in Materials Science and Engineering, 2021, 29(8), 085017.
Liang, Q., Weng, S., Fu, T., Hu, S., & Peng, X., Dislocation reaction-based formation mechanism of stacking fault tetrahedra in FCC high-entropy alloy. Materials Chemistry and Physics, 2022, 282, 125997.
Stukowski, A., Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool. Modelling and simulation in materials science and engineering, 2009, 18(1), 015012.
Luo, G., Li, L. I., Fang, Q., Li, J., Tian, Y., Liu, Y., ... & Liaw, P. K., 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, 2021, 42, pp. 1109-1122.
A. Stukowski, “Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool,” Model Simul Mat Sci Eng, 2009, vol. 18, no. 1, p. 015012.
Mendelev, M. I., Sordelet, D. J., & Kramer, M. J., Using atomistic computer simulations to analyze x-ray diffraction data from metallic glasses. Journal of Applied Physics, 2007, 102(4).
Li, J., Dong, L., Dong, X., Zhao, W., Liu, J., Xiong, J., & Xu, C., Study on wear behavior of FeNiCrCoCu high entropy alloy coating on Cu substrate based on molecular dynamics. Applied Surface Science, 2021, 570, 151236.
Hull, D., & Bacon, D. J., Introduction to dislocations, 2011, Vol. 37, Elsevier.
