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crack-dynamics_1-5k

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Crack dynamics in brittle materials

Model and training code: https://github.com/lamm-mit/DynaGen

The dataset includes LAMMPS molecular dynamics results of a 2D LJ material under tension. Each simulation features a randomly generated defect (shape, location, etc. varied) under the same applied tensile load. The dataset includes the initial microstructure, frames of the evolution of the atomic potential energy field, and additional data such as damage incurred.

Please cite:

@article{BuehlerASME_JAP_2022,
    title   = {Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model},
    author  = {M.J. Buehler},
    journal = {J. Appl. Mech.},
    year    = {2022},
    volume  = {89},
    pages   = {121009},
    url     = {https://doi.org/10.1115/1.4055730}
}

Model setup and boundary conditions

Further details, see M.J. Buehler, https://doi.org/10.1115/1.4055730.

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