Evaluation of Mechanical Properties of Metallic Glasses via MD and FEA

In this study, a method is introduced for extracting key parameters (E, v, sigma(o), k) of the free volume model (FVM) for metallic glasses using molecular dynamics (MD) and finite element analysis (FEA). Elastic properties, such as Young's modulus and Poisson's ratio, are determined via nano-tensile analysis using MD. Nominal stress-strain curves acquired using MD tensile analysis and FE tensile analysis, with known elastic properties, are compared via a trial-and-error approach to obtain model variables sigma(o) and k, which best align the two curves. The final set of extracted key parameters is validated by comparing nanoindentation experimental results and FEA load-depth curves. The proposed method streamlines the overall process, making it more time-efficient than utilizing deep learning or the trial-and-error approach to extract all variables.