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An AI to predict critical events (cracks, fatigue) in a strained polycrystal from high-energy x-ray diffraction microscopy (HEDM) data, trained on simulated diffraction from crystal plasticity finite element (CPFE) simulations.
This repository contains the LAMMPS and python scripts created from the ground-up, along with the most important data, to conduct a thorough analysis of the Thermal Rectification (TR) in semi-stochastically generated atomistic models of polycrystalline graphene with graded grain size variation - using Molecular Dynamics & mapping of phonon modes.