Mechanical properties of Cu-Ni alloys: Comparison of experimental and MD simulation approaches

A Ismail and H Adin and A Arafat and M Okumus, PHYSICA B-CONDENSED MATTER, 700, 416928 (2025).

DOI: 10.1016/j.physb.2025.416928

The rapid advancement of technology allows devices to be designed at atomistic scales, creating a need for material characterisation at micro and nano levels. In this study, nanoindentation tests and MD simulations are compared to analyse the hardness, modulus of elasticity and surface deformation of CuNi alloys produced by casting. These methods are used to comprehensively investigate and compare the mechanical properties of alloys. The applicability of the simulation method to metal alloys is also evaluated. Nanoindentation tests revealed Em values between 101.89 GPa and 139.27 GPa, while MD simulations showed higher Em values ranging from 126.30 GPa to 186.34 GPa. Larger grain sizes in Cu-%10Ni alloy reduced the hardness to 2.40 GPa, while smaller grains in Cu-%20Ni alloy increased the hardness to 3.09 GPa. MD simulations allow real-time atomic-scale deformation observations, supporting empirical results and in agreement with the literature, and their applicability in metal alloys has been observed.

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