Effect of material stiffness on hardness: a computational study based on model potentials

TL;DR

This study uses molecular dynamics simulations with Morse-type model potentials to explore how a material's elastic stiffness influences its hardness and plasticity behavior, revealing a proportional relationship.

Contribution

It introduces a computational approach to systematically vary elastic stiffness in model potentials and examines its effect on hardness and plasticity onset.

Findings

Hardness scales with elastic stiffness

Load drop during plasticity increases with stiffness

Yield point remains unaffected by elastic stiffness

Abstract

We investigate the dependence of the hardness of materials on their elastic stiffness. This is possible by constructing a series of model potentials of the Morse type; starting on modelling natural Cu, the model potential exhibit an increased elastic modulus, while keeping all other potential parameters (lattice constant, bond energy) unchanged. Using molecular-dynamics simulation, we perform nanoindentation experiments on these model crystals. We find that the crystal hardness scales with the elastic stiffness. Also the load drop, which is experienced when plasticity sets in, increases in proportion to the elastic stiffness, while the yield point, i.e., the indentation at which plasticity sets in, is independent of the elastic stiffness.