Second Nearest-Neighbor Modified Embedded Atom Method Interatomic Potential for Cu-Ni-Sn Ternary System

JL Dong and XM Dong and ZX Feng and CJ Li and JH Yi and J Tan, CMC- COMPUTERS MATERIALS & CONTINUA, 83 (2025).

DOI: 10.32604/cmc.2025.059727

To explore atomic-level phenomena in the Cu-Ni-Sn alloy, a second nearest-neighbor modified embedded-atom method (2NN MEAM) potential has been developed for the Cu-Ni-Sn system, building upon the work of other researchers. This potential demonstrates remarkable accuracy in predicting the lattice constant, with a relative error of less than 0.5% when compared to density functional theory (DFT) results, and it achieves a 10% relative error in the enthalpy of formation compared to experimental data, marking substantial advancements over prior models. The bulk modulus is predicted with a relative error of 8% compared to DFT. Notably, the potential effectively simulates the processes of melting and solidification of Cu-15Ni-8Sn, with a simulated melting point that closely aligns with the experimental value, within a 7.5% margin. This serves as a foundation for establishing a 2NN MEAM potential for a flawless Cu-Ni-Sn system and its microalloying systems.

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