journal article·2020-03-25

Mechanical Response of Nanocrystalline Ice-Contained Methane Hydrates: Key Role of Water Ice

Pinqiang Cao, Fulong Ning, Jianyang Wu, Boxiao Cao, Tianshu Li, Henrik Andersen Sveinsson, Zhichao Liu, Thijs J. H. Vlugt, Masayuki Hyodo

ACS Applied Materials & Interfaces· Volume 12· Issue 12
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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.
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Research context

OpenAlex topics: Methane Hydrates and Related Phenomena · Coal Properties and Utilization · Spacecraft and Cryogenic Technologies

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Faculty of Engineering, China University of Geosciences, Wuhan, Hubei 430074, China

Department of Civil and Environmental Engineering, The George Washington University, Washington, District of Columbia 20052, United States

Department of Physics, Jiujiang Research Institute, Research Institute for Biomimetics and Soft Matter, Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, China

Laboratory for Marine Mineral Resources, Qingdao National Laboratory for Marine Science and Technology, Qingdao 266237, China

National Center for International Research on Deep Earth Drilling and Resource Development, Wuhan, Hubei 430074, China

NTNU Nanomechanical Lab, Department of Structural Engineering, Norwegian University of Science and Technology (NTNU), Trondheim N-7491, Norway

The Njord Centre, Department of Physics, University of Oslo, Oslo 0316, Norway

Process & Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628CB Delft, The Netherlands

Graduate School of Science and Technology for Innovation, Yamaguchi University, Yamaguchi City, Yamaguchi 753-8511, Japan

Funding

State Administration of Foreign Experts Affairs · Fujian Provincial Department of Science and Technology · Ministry of Education of the People's Republic of China · Ministry of Science and Technology of the People's Republic of China · China Scholarship Council · National Natural Science Foundation of China · Xiamen University · Qingdao National Laboratory for Marine Science and Technology

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