Molecular Dynamics Simulation on Creep Mechanism of Nanocrystalline Cu-Ni Alloy

Kasum Kasum, Fajar Mulyana, Mohamad Zaenudin, Adhes Gamayel, M. N. Mohammed


Creep mechanism is an essential mechanism for material when subjected to a high temperature and high pressure. It shows material ability during an extreme application to maintain its structure and properties, especially high pressure and temperature. This test is already done experimentally in many materials such as metallic alloys, various stainless steel, and composites. However, understanding the creep mechanism at the atomic level is challenging due to the instruments  limitation. Still, the improvement of mechanical properties is expected can be done in such a group. In this work, the creep mechanism of the nanocrystalline Cu-Ni alloy is demonstrated in terms of molecular dynamics simulation. The result shows a significant impact on both temperature and pressure. The deformation supports the mechanisms as a result of the grain boundary diffusion. Quantitative analysis shows a more substantial difference in creep-rate at a higher temperature and pressure parameters. This study has successfully demonstrated the mechanism of creep at the atomic scale and may be used for improving the mechanical properties of the material.


Molecular dynamics simulation; creep behaviour; Cu-Ni alloy

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Ahmed, J., Ramanujachary, K. V., Lofland, S. E., Furiato, A., Gupta, G., Shivaprasad, S. M., & Ganguli, A. K. (2008). Bimetallic Cu-Ni nanoparticles of varying composition (CuNi3, CuNi, Cu3Ni). Colloids and Surfaces A: Physicochemical and Engineering Aspects, 331(3), 206–212.

Bakharev, P. V, Huang, M., Saxena, M., Lee, S. W., Joo, S. H., Park, S. O., … Ruoff, R. S. (2019). Chemically Induced Transformation of CVD-Grown Bilayer Graphene into Single Layer Diamond. Nature Nanotechnology, (Cmcm).

Baskaran, I., Sankara Narayanan, T. S. N., & Stephen, A. (2006). Pulsed electrodeposition of nanocrystalline Cu-Ni alloy films and evaluation of their characteristic properties. Materials Letters, 60(16), 1990–1995.

Brillo, J., & Egry, I. (2005). Surface tension of nickel, copper, iron and their binary alloys. In Journal of Materials Science (Vol. 40).

Cao, P., Short, M. P., & Yip, S. (2017). Understanding the mechanisms of amorphous creep through molecular simulation. Proceedings of the National Academy of Sciences of the United States of America, 114(52), 13631–13636.

Daw, M. S., & Baskes, M. I. (1984). Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B, 29(12), 6443–6453.

Foiles, S. M., Baskes, M. I., & Daw, M. S. (1986). Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Physical Review B.

Gubicza, J., Jenei, P., Nam, K., Kádár, C., Jo, H., & Choe, H. (2018). Compressive behavior of Cu-Ni alloy foams: Effects of grain size, porosity, pore directionality, and chemical composition. Materials Science and Engineering A, 725(April), 160–170.

Haslam, A. J., Yamakov, V., Moldovan, D., Wolf, D., Phillpot, S. R., & Gleiter, H. (2004). Effects of grain growth on grain-boundary diffusion creep by molecular-dynamics simulation. Acta Materialia, 52(7), 1971–1987.

Ji, K., Zhao, H., Zhang, J., Chen, J., & Dai, Z. (2014). Fabrication and electromagnetic interference shielding performance of open-cell foam of a Cu-Ni alloy integrated with CNTs. Applied Surface Science, 311, 351–356.

Keblinski, P., Wolf, D., & Gleiter, H. (1998). Molecular-dynamics simulation of grain-boundary diffusion creep. Interface Science, 6(3), 205–212.

Mizushima, I., Chikazawa, M., & Watanabe, T. (1996). Microstructure of electrodeposited Cu-Ni binary alloy films. Journal of the Electrochemical Society, 143(6), 1978–1983.

Onat, B., & Durukanoǧlu, S. (2014). An optimized interatomic potential for Cu-Ni alloys with the embedded-atom method. Journal of Physics Condensed Matter, 26(3).

Pal, S., Meraj, M., & Deng, C. (2017). Effect of Zr addition on creep properties of ultra-fine grained nanocrystalline Ni studied by molecular dynamics simulations. Computational Materials Science, 126, 382–392.

Plimpton, S. (1995). LAMMPS.

Sopousek, J., Vrestal, J., Pinkas, J., Broz, P., Bursik, J., Styskalik, A., … Lee, J. (2014). Cu-Ni nanoalloy phase diagram - Prediction and experiment. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 45, 33–39.

Studt, F., Abild-Pedersen, F., Wu, Q., Jensen, A. D., Temel, B., Grunwaldt, J. D., & Norskov, J. K. (2012). CO hydrogenation to methanol on Cu-Ni catalysts: Theory and experiment. Journal of Catalysis, 293, 51–60.

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).

Sun, Z., Liu, B., He, C., Xie, L., & Peng, Q. (2019). Shift of creep mechanism in nanocrystalline NiAl alloy. Materials, 12(16).

Teeriniemi, J., Taskinen, P., & Laasonen, K. (2015). First-principles investigation of the Cu-Ni, Cu-Pd, and Ni-Pd binary alloy systems. Intermetallics, 57, 41–50.

Wang, Y. J., Ishii, A., & Ogata, S. (2011). Transition of creep mechanism in nanocrystalline metals. Physical Review B - Condensed Matter and Materials Physics, 84(22), 1–7.

Wang, Y. J., Ishii, A., & Ogata, S. (2012). Grain size dependence of creep in nanocrystalline copper by molecular dynamics. Materials Transactions, 53(1), 156–160.

Wang, Y. J., Ishii, A., & Ogata, S. (2013). Entropic effect on creep in nanocrystalline metals. Acta Materialia, 61(10), 3866–3871.

Wolf, D., Yamakov, V., Phillpot, S. R., Mukherjee, A., & Gleiter, H. (2005). Deformation of nanocrystalline materials by molecular-dynamics simulation: Relationship to experiments? Acta Materialia, 53(1), 1–40.

Yang, X. S., Wang, Y. J., Zhai, H. R., Wang, G. Y., Su, Y. J., Dai, L. H., … Zhang, T. Y. (2016). Time-, stress-, and temperature-dependent deformation in nanostructured copper: Creep tests and simulations. Journal of the Mechanics and Physics of Solids, 94, 191–206.


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