Mechanical properties of zircon for varying degree of amorphization predicted by finite element simulations

The level-cut Gaussian random field approach based on standing waves is used to generate bi-phase microstructures of arbitrary phase fraction. Finite Element voxel models based on such microstructures are employed to predict the mechanical properties of zircon (ZrSiO4) for varying degree of amporphization from 0 to 100% with percolation transitions at 15.9 and 84.1%. Between the percolation transitions, the microstructure is bi-continuous. The numerical simulations provide values for the volumetric swelling, density, Young´s modulus, Poisson´s ratio, yield stress, and hardness as function of the amorphous phase fraction. For achieving a fit with nanoindentation hardness data in the literature, the micromechanical model additionally considers an interface between the amorphous and the crystalline phase that can be adjusted in thickness. Yield stress and hardness data are predicted for different values of interface thickness. The repository contains the simulation results as well as the literature data used for comparison.