Open Access

ARTICLE

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

Jialiang Dong^1,2, Xuemao Dong^3,4, Zhongxue Feng^3,4,*, Caiju Li^3,4, Jianhong Yi^3,4, Jun Tan^5,*

1 School of Materials Science and Engineering, Guizhou Minzu University, Guiyang, 550025, China
2 Guangdong Key Laboratory for Advanced Metallic Materials Processing and Forming, National Engineering Research Center of Near-Net-Shape Forming for Metallic Materials, South China University of Technology, Guangzhou, 510640, China
3 Faculty of Electronic and Information Engineering, Anshun University, Anshun, 561000, China
4 Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming, 650093, China
5 College of Materials Science and Engineering, Chongqing University, Chongqing, 400044, China

* Corresponding Authors: Zhongxue Feng. Email: ; Jun Tan. Email:

(This article belongs to the Special Issue: Advances in Computational Materials Science: Focusing on Atomic-Scale Simulations and AI-Driven Innovations)

Computers, Materials & Continua 2025, 83(1), 65-77. https://doi.org/10.32604/cmc.2025.059727

Received 15 October 2024; Accepted 10 February 2025; Issue published 26 March 2025

Abstract

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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Keywords

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