MicMec implements the micromechanical model, a systematic coarse-grained procedure to access larger length and longer time scales in mechanical simulations of nanostructured materials. As a hierarchical method, it takes atomic-level stiffness tensors and cell matrices at equilibrium for input, allowing for a straightforward comparison with experiment.
Documentation | https://molmod.github.io/micmec
Git repository | https://github.com/molmod/micmec
How to cite | [1] J. Vandewalle, J. S. De Vos and S. M. J. Rogge. MicMec: Developing the Micromechanical Model to Investigate the Mechanics of Correlated Node Defects in UiO-66. J. Phys. Chem. C, 127, pp. 6060-6070 (2023). https://doi.org/10.1021/acs.jpcc.3c00451 [2] S. M. J. Rogge. The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks. Faraday Discuss., 225, pp. 271–285 (2020). https://doi.org/10.1039/C9FD00148D
