Grain-Size-Governed Shear Failure Mechanism of Polycrystalline Methane Hydrates

نویسندگان

چکیده

The shear failure mechanism of polycrystalline gas hydrates is critical for understanding marine geohazards related to under a changing climate and safe recovery from hydrate reservoirs. Since current experimental techniques cannot resolve the on spatial temporal nanoscale, molecular simulations can assist with proposing substantiating nanoscale mechanisms. Here, we report methane using direct dynamics simulations. Based these simulations, suggest two modes behavior, depending grain sizes, d, in polycrystal: grain-size-strengthening behavior d1/3 size dependence small sizes grain-size-weakening large sizes. Through crossover strengthening weakening mode changes plane parallel applied tensile lying at an angle shear, spanning network boundaries. existence such change suggests that Hall–Petch breakdown due boundary sliding opening being most important when increases.

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ژورنال

عنوان ژورنال: Journal of Physical Chemistry C

سال: 2021

ISSN: ['1932-7455', '1932-7447']

DOI: https://doi.org/10.1021/acs.jpcc.1c00901