Melting phenomena of Cu0.25 Ni0.75 bimetallic alloy: A molecular dynamics approach

Alloys of transition metals draw attention from the scientific community due to the interesting physical and thermal behaviour they exhibit over their pure metal components. Atomic Molecular Dynamics Simulations on Pure copper (Cu) metal, nickel (Ni) metal and their Ni rich alloy (Cu0.25 Ni0.75) have been carried out using the second nearest neighbour modified embedded atom potential parameters to investigate on the melting phenomena of the Ni rich alloy. The variation of average potential energy with respect to temperature is used to estimate the melting point temperature. Various other analyses such as; specific heat, mean square displacement of atoms and self-diffusion coefficients of atoms have been calculated in order to determine the exact transition region in the metals and to mark the melting point temperatures. The results show that the melting temperature of the Ni rich alloy is more as compared to its pure components (Cu and Ni). For the alloy, the calculated melting temperature is 2430 K +/- 5 K, whereas that of the pure Cu metal is found to be 1900 K +/- 5 K and pure Ni metal is 2370 K +/- 5 K. The study shows that the alloy under investigation is comparatively more thermally stable than pure Cu and Ni. (c) 2021 Elsevier Ltd. All rights reserved. Selection and Peer-review under responsibility of the scientific committee of the Global Conference on Recent Advances in Sustainable Materials 2021.