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A Markov theoretic description of stacking disordered aperiodic crystals including ice and opaline silica

Published 16 Feb 2021 in physics.chem-ph | (2102.08418v1)

Abstract: We review the Markov theoretic description of 1D aperiodic crystals, describing the stacking-faulted crystal polytype as a special case of an aperiodic crystal. Under this description we generalise the centrosymmetric unit cell underlying a topologically centrosymmetric crystal to a reversible Markov chain underlying a reversible aperiodic crystal. We show that for the close-packed structure, almost all stackings are irreversible when the interaction reichweite is greater than 4. Moreover, we present an analytic expression of the scattering cross section of a large class of stacking disordered aperiodic crystals, lacking translational symmetry of their layers, including ice and opaline silica (opal CT). We then relate the observed stackings and their underlying reichweite to the physics of various nucleation and growth processes of disordered ice.

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