- Letter
- Open Access
Distinct creep regimes of methane hydrates predicted by a monatomic water model
Phys. Rev. Research 7, L012007 – Published 9 January, 2025
DOI: https://doi.org/10.1103/PhysRevResearch.7.L012007
Abstract
The power-law creep properties of methane hydrates were measured experimentally two decades ago, but their microscopic explanation is still missing. Here we show, using molecular dynamics simulations spanning almost 2 orders of magnitude of stresses and 3 orders of magnitude of strain rates, that such power-law creep emerges in molecular dynamics simulations of polycrystalline methane hydrates using a monatomic water model, suggesting that only simplified molecular interactions and the concept of a hydrate polycrystal are needed for such power-law creep behavior to emerge. Damage patterns post-creep suggest that hydrates are strong because damage only occurs on crystal surfaces.
Physics Subject Headings (PhySH)
Article Text
References (40)
- E. D. Sloan, Fundamental principles and applications of natural gas hydrates, Nature (London) 426, 353 (2003).
- K. A. Kvenvolden, Gas hydrates-geological perspective and global change, Rev. Geophys. 31, 173 (1993).
- R. Boswell, Is gas hydrate energy within reach? Science 325, 957 (2009).
- G. J. J. Moridis, T. S. S. Collett, M. Pooladi-Darvish, S. Hancock, C. Santamarina, R. Boswell, T. Kneafsey, J. Rutqvist, M. B. B. Kowalsky, M. T. T. Reagan, E. D. D. Sloan, A. K. K. Sum, and C. A. A. Koh, Challenges, uncertainties, and issues facing gas production from gas-hydrate deposits, SPE Reservoir Eval. Eng. 14, 76 (2011).
- W. F. Waite, J. C. Santamarina, D. D. Cortes, B. Dugan, D. N. Espinoza, J. Germaine, J. Jang, J. W. Jung, T. J. Kneafsey, H. Shin, K. Soga, W. J. Winters, and T.-S. Yun, Physical properties of hydrate-bearing sediments, Rev. Geophys. 47 (2009).
- X. Fu, J. Jimenez-Martinez, T. P. Nguyen, J. W. Carey, H. Viswanathan, L. Cueto-Felgueroso, and R. Juanes, Crustal fingering facilitates free-gas methane migration through the hydrate stability zone, Proc. Natl. Acad. Sci. USA 117, 31660 (2020).
- E. D. Sloan, Jr., and C. A. Koh, Clathrate Hydrates of Natural gases (CRC, Boca Raton, FL, 2007).
- H. Shimizu, T. Kumazaki, T. Kume, and S. Sasaki, Elasticity of single-crystal methane hydrate at high pressure, Phys. Rev. B 65, 212102 (2002).
- J. W. Jung and J. C. Santamarina, Hydrate adhesive and tensile strengths, Geochem. Geophys. Geosyst. 12 (2011).
- H. A. Sveinsson and A. Malthe-Sørenssen, Molecular-scale thermally activated fractures in methane hydrates: A molecular dynamics study, Phys. Chem. Chem. Phys. 21, 13539 (2019).
- V. F. Petrenko and R. W. Whitworth, Physics of Ice (Oxford University, Oxford, 1999).
- J. W. Glen, The creep of polycrystalline ice, Proc. R. Soc. London, Ser. A 228, 519 (1955).
- M. F. Ashby and P. Duval, The creep of polycrystalline ice, Cold Reg. Sci. Technol. 11, 285 (1985).
- W. B. Durham, S. H. Kirby, L. A. Stern, and W. Zhang, The strength and rheology of methane clathrate hydrate, J. Geophys. Res.: Solid Earth 108, 2182 (2003).
- J.-P. Poirier, Creep of Crystals: High-Temperature Deformation Processes in Metals, Ceramics and Minerals (Cambridge University, Cambridge, England, 1985).
- M. Chen, Y. Li, Y. Zhang, M. Qi, and N. Wu, Recent advances in creep behaviors characterization for hydrate-bearing sediment, Renewable Sustainable Energy Rev. 183, 113434 (2023).
- D. Atig, D. Broseta, J.-M. Pereira, and R. Brown, Contactless probing of polycrystalline methane hydrate at pore scale suggests weaker tensile properties than thought, Nat. Commun. 11, 3379 (2020).
- M. Chaouachi, S. H. Neher, A. Falenty, and W. F. Kuhs, Time resolved coarsening of clathrate crystals: The case of gas hydrates, Cryst. Growth Des. 17, 2458 (2017).
- S. A. Klapp, H. Klein, and W. F. Kuhs, First determination of gas hydrate crystallite size distributions using high-energy synchrotron radiation, Geophys. Res. Lett. 34 (2007).
- J. Yoneda, M. Kida, Y. Konno, Y. Jin, S. Morita, and N. Tenma, In situ mechanical properties of shallow gas hydrate deposits in the deep seabed, Geophys. Res. Lett. 46, 14459 (2019).
- E. O. Hall, The deformation and ageing of mild steel: III. Discussion of results, Proc. Phys. Soc., Sect. B 64, 747 (1951).
- N. Petch, The cleavage strength of polycrystals, J. Iron Steel Inst. 174, 25 (1953).
- J. Wu, F. Ning, T. T. Trinh, S. Kjelstrup, T. J. H. Vlugt, J. He, B. H. Skallerud, and Z. Zhang, Mechanical instability of monocrystalline and polycrystalline methane hydrates, Nat. Commun. 6, 8743 (2015).
- H. A. Sveinsson, F. Ning, P. Cao, B. Fang, and A. Malthe-Sørenssen, Grain-size-governed shear failure mechanism of polycrystalline methane hydrates, J. Phys. Chem. C 125, 10034 (2021).
- P. Cao, F. Ning, J. Wu, B. Cao, T. Li, H. A. Sveinsson, Z. Liu, T. J. H. Vlugt, and M. Hyodo, Mechanical response of nanocrystalline ice-contained methane hydrates: Key role of water ice, ACS Appl. Mater. Interfaces 12, 14016 (2020).
- P. Cao, J. Sheng, J. Wu, and F. Ning, Mechanical creep instability of nanocrystalline methane hydrates, Phys. Chem. Chem. Phys. 23, 3615 (2021).
- A. H. Nguyen and V. Molinero, Identification of clathrate hydrates, hexagonal ice, cubic ice, and liquid water in simulations: The CHILL+ algorithm, J. Phys. Chem. B 119, 9369 (2015).
- P. Hirel, Atomsk: A tool for manipulating and converting atomic data files, Comput. Phys. Commun. 197, 212 (2015).
- V. Molinero and E. B. Moore, Water modeled as an intermediate element between carbon and silicon, J. Phys. Chem. B 113, 4008 (2009).
- L. C Jacobson and V. Molinero, A methane–water model for coarse-grained simulations of solutions and clathrate hydrates, J. Phys. Chem. B 114, 7302 (2010).
- J. Weiss and D. Amitrano, Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution, Phys. Rev. Mater. 7, 033601 (2023).
- E. N. D. C. Andrade, On the viscous flow in metals, and allied phenomena, Proc. R. Soc. London, Ser. A 84, 1 (1910).
- W. F. Budd and T. H. Jacka, A review of ice rheology for ice sheet modelling, Cold Reg. Sci. Technol. 16, 107 (1989).
- T. H. Jacka and W. F. Budd, Isotropic and anisotropic flow relations for ice dynamics, Ann. Glaciol. 12, 81 (1989).
- M. A. Fischler and R. C. Bolles, Random sample consensus: A paradigm for model fitting with applications to image analysis and automated cartography, Commun. ACM 24, 381 (1981).
- P. Cao, Molecular origins of deformation in amorphous methane hydrates, J. Phys. Chem. B 125, 9811 (2021).
- S. Motahari, C. Liu, Y. Bai, M. Khorrami, and D. Raabe, Microstructure-sensitive crystal plasticity and phase-field modeling of deformation and fracture in polycrystalline ice, Acta Mater. 283, 120512 (2025).
- J. L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega, A potential model for the study of ices and amorphous water: TIP4P/Ice, J. Chem. Phys. 122, 234511 (2005).
- J. Zeng, D. Zhang, D. Lu, P. Mo, Z. Li, Y. Chen, M. Rynik, L. Huang, Z. Li, S. Shi et al., DeePMD-kit v2: A software package for deep potential models, J. Chem. Phys. 159, 054801 (2023).
- A. Musaelian, S. Batzner, A. Johansson, L. Sun, C. J. Owen, M. Kornbluth, and B. Kozinsky, Learning local equivariant representations for large-scale atomistic dynamics, Nat. Commun. 14, 579 (2023).