Figure 2: Molecular models of polycrystalline methane hydrates.
From: Mechanical instability of monocrystalline and polycrystalline methane hydrates
(a) Three-dimensional polycrystals of methane hydrates with a grain size of 11.2 nm. Cross-sectional snapshots of polycrystals with grain sizes of (b) 5.61, (c) 15.0 and (d) 28.1 nm in their relaxed state. Molecules are rendered according to their potential energy. The inset of b represents the initial state. Cross-sectional snapshots of polycrystals with grain sizes of (e) 5.61, (f) 15.0 and (g) 28.1 nm. Molecules are coloured according to their von Mises stresses. Cross-sectional snapshots of polycrystals with grain sizes of (h) 5.61, (i) 15.0 and (j) 28.1 nm in their initial state. Water molecules are coloured according to their cage-type formation, whereas methane is coloured white. Cross-sectional snapshots of polycrystals with grain sizes of (k) 5.61, (l) 15.0 and (m) 28.1 nm in their relaxed state. Water molecules are coloured according to their cage-type formation, whereas methane is coloured white. The molecular structures of (n) 0CH4@51263, (o) 2CH4@51263, (p) 1CH4@51264 and (q) 2CH4@51264 were captured at the grain boundary.
