TY  - EJOU
AU  - Dong, Jialiang 
AU  - Dong, Xuemao 
AU  - Feng, Zhongxue 
AU  - Li, Caiju 
AU  - Yi, Jianhong 
AU  - Tan, Jun 

TI  - Second Nearest-Neighbor Modified Embedded Atom Method Interatomic Potential for Cu-Ni-Sn Ternary System
T2  - Computers, Materials \& Continua

PY  - 2025
VL  - 83
IS  - 1
SN  - 1546-2226

AB  - 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.
KW  - 2NN MEAM; Cu-Ni-Sn; interatomic potential; atomistic simulation

DO  - 10.32604/cmc.2025.059727