Dataset - Simulation Results Shear Deformation Pathways of Cu-Ni Multilayers via Neural Net Potential

A trained neural net potential (NNP) was use to simulate shear in the [011] direction in Cu-Ni multilayers. We applied the NNP to a Monte Carlo scheme to generate parallel shear simulations, demonstrating the range of possible trajectories that can be obtained due to speedups provided by the NNP.

NNP training codebase is available on GitHub: https://github.com/pnnl/Active-Sampling-for-Atomistic-Potentials