Print Email Facebook Twitter Mechanical Response of Nanocrystalline Ice-Contained Methane Hydrates Title Mechanical Response of Nanocrystalline Ice-Contained Methane Hydrates: Key Role of Water Ice Author Cao, Pinqiang (China University of Geosciences, Wuhan; The George Washington University; Xiamen University) Ning, Fulong (China University of Geosciences, Wuhan; Qingdao National Laboratory for Marine Science and Technology) Wu, Jianyang (Xiamen University; Norwegian University of Science and Technology (NTNU)) Cao, Boxiao (The George Washington University) Li, Tianshu (The George Washington University) Sveinsson, Henrik Andersen (Universitetet i Oslo) Liu, Z. (China University of Geosciences, Wuhan; National Center for International Research on Deep Earth Drilling and Resource Development) Vlugt, T.J.H. (TU Delft Engineering Thermodynamics) Hyodo, Masayuki (Yamaguchi University) Date 2020 Abstract Water ice and gas hydrates can coexist in the permafrost and polar regions on Earth and in the universe. However, the role of ice in the mechanical response of ice-contained methane hydrates is still unclear. Here, we conduct direct million-atom molecular simulations of ice-contained polycrystalline methane hydrates and identify a crossover in the tensile strength and average compressive flow stress due to the presence of ice. The average mechanical shear strengths of hydrate-hydrate bicrystals are about three times as large as those of hydrate-ice bicrystals. The ice content, especially below 70%, shows a significant effect on the mechanical strengths of the polycrystals, which is mainly governed by the proportions of the hydrate-hydrate grain boundaries (HHGBs), the hydrate-ice grain boundaries (HIGBs), and the ice-ice grain boundaries (IIGBs). Quantitative analysis of the microstructure of the water cages in the polycrystals reveals the dissociation and reformation of various water cages due to mechanical deformation. These findings provide molecular insights into the mechanical behavior and microscopic deformation mechanisms of ice-contained methane hydrate systems on Earth and in the universe. Subject grain boundaryicemechanical propertymethane hydratemolecular dynamics simulationsnanograined polycrystal To reference this document use: http://resolver.tudelft.nl/uuid:53bafd7d-1382-431a-a5f5-86c7c7db0d56 DOI https://doi.org/10.1021/acsami.0c00972 Embargo date 2021-03-05 ISSN 1944-8244 Source ACS applied materials & interfaces, 12 (12), 14016-14028 Bibliographical note Accepted Author Manuscript Part of collection Institutional Repository Document type journal article Rights © 2020 Pinqiang Cao, Fulong Ning, Jianyang Wu, Boxiao Cao, Tianshu Li, Henrik Andersen Sveinsson, Z. Liu, T.J.H. Vlugt, Masayuki Hyodo Files PDF fulong_7_1_2020.pdf 6.78 MB Close viewer /islandora/object/uuid:53bafd7d-1382-431a-a5f5-86c7c7db0d56/datastream/OBJ/view