Mechanical properties and deformation characteristic of few-layer gold nanolayers

Abstract

This study investigates the mechanical properties and deformation mechanisms of few-layer gold nanolayers using molecular dynamics simulations under varying layer numbers, temperatures, and strain rates. Results show that tensile strength and Young's modulus increase with more layers, with 3- to 5-layer samples undergoing a strain-sensitive phase transition that enhances strength. Dislocation formation occurs only in the 4- and 5-layer samples, while 1- and 2-layer samples maintain a stable, amorphous structure. Tensile strength decreases with higher temperatures due to thermal softening. Strain rate strongly influences stress values and yield stress, particularly in the 1- and 2-layer samples. The Zerilli-Armstrong and Power Law models predict yield stress at quasi-static rates, showing an overall increase with strain rate.