Investigation of Temperature-Dependent Tensile Properties of Cu-Ag Nanowires with Varying Ag Content: A Molecular Dynamics Study
DOI:
https://doi.org/10.38032/scse.2025.3.52Keywords:
Molecular Dynamics, LAMMPS, Cu-Ag nanowire, Uniaxial LoadingAbstract
Molecular dynamics (MD) simulation has been carried out to explore the influence of temperature and silver (Ag) composition on the tensile properties of single crystalline cylindrical-shaped, face-centered cubic (FCC) Cu-Ag nanowires when subjected to uniaxial tensile strain. The simulations were conducted using LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) simulation package, which is known for its precise characterization of metallic systems and interatomic interactions were defined using MEAM (Modified Embedded Atom Method) potential. The tensile properties, including ultimate tensile strength and modulus of elasticity were determined from the engineering stress-strain curves at temperatures ranging from 200 K to 400 K. The ultimate tensile strength of the nanowires varied between 8.17 GPa and 6.11 GPa, while the modulus of elasticity ranged from 82.52 GPa to 102.42 GPa. The linear elastic behavior was maintained until the strain reached between 0.02 and 0.035. Cu-Ag20 demonstrated a favorable combination of ultimate tensile strength (UTS) and modulus of elasticity, making it a well-balanced choice among the compositions studied. This study sheds light on how varying Ag content and temperature impact the strength and elasticity of Cu-Ag nanowires, which is crucial for designing materials with desired mechanical properties, especially for applications in nano-electromechanical systems (NEMS) and micro-electromechanical systems (MEMS).
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