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Issue 25, 2019
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Molecular-scale thermally activated fractures in methane hydrates: a molecular dynamics study

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Abstract

We perform multiple large molecular dynamics simulations to study the fracture behaviour of monocrystalline methane hydrates under tension. We examine the fracture initiation phase and find that the fracture process can be divided into two phases: slow crack growth and rapid crack propagation. The time of the slow crack growth phase can be predicted by a thermal activation model [L. Vanel et al., J. Phys. D: Appl. Phys., 2009, 42, 214007] where an energy barrier has to be overcome in order for the crack to propagate. Our simulations predict that the slow growth phase vanishes when the stress intensity factor approaches Image ID:c9cp01337g-t1.gif.

Graphical abstract: Molecular-scale thermally activated fractures in methane hydrates: a molecular dynamics study

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Article information


Submitted
08 Mar 2019
Accepted
28 May 2019
First published
18 Jun 2019

This article is Open Access

Phys. Chem. Chem. Phys., 2019,21, 13539-13544
Article type
Paper

Molecular-scale thermally activated fractures in methane hydrates: a molecular dynamics study

H. A. Sveinsson and A. Malthe-Sørenssen, Phys. Chem. Chem. Phys., 2019, 21, 13539
DOI: 10.1039/C9CP01337G

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