Molecular dynamics simulations of polycrystalline methane hydrates under shear loading: Positions at maximum stress

• Main Author: Sveinsson, Henrik Andersen
• Format: Dataset
• Language: English
• Published: Zenodo 2019
• Subjects: Molecular dynamics; Gas hydrate; Clathrate; Micromechanics; Methane hydrate
• Online Access: https://dx.doi.org/10.5281/zenodo.3228754; https://zenodo.org/record/3228754

Lammps data files from approximately (closest in time of available dumps) the point in simulations with the largest stress. A later version of this dataset will contain more information about the data, and also contain input scripts and thermodynamics outputs from the simulations. The simulations of this dataset are similar to the ones from; Wu, J., Ning, F., Trinh, T. T., Kjelstrup, S., Vlugt, T. J., He, J., ... & Zhang, Z. (2015). Mechanical instability of monocrystalline and polycrystalline methane hydrates. Nature communications , 6 , 8743, except that in the present dataset, the hydrate polycrystals were subjected to shear loading rather than tensile and compressional loading.