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Thermally Driven Density and Phonon-Stiffness Oscillation

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Relaxation of the Chemical Bond

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 108))

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Abstract

The density and phonon-stiffness of water ice oscillates over the full temperature range, transiting at 277, 258, and 80 K. The segment of relatively lower specific heat contracts at cooling, which forces the other of the H-bond to elongate via Coulomb repulsion. In the liquid and solid phases, O:H bond contracts more than the H–O elongates; hence, an O:H–O cooling contraction and the seemingly ‘regular’ process of cooling densification take place. During freezing, the H–O contracts less than the O:H elongates, leading to an O:H–O elongation and volume expansion. At T < 80 K, the length and energy of both segments conserve but the O:H–O angle stretches, resulting in slight volume expansion. In ice, the O–O distance is longer than it is in water, resulting in a lower density, so that ice floats. Length contraction/elongation of the specific segment is associated with phonon-stiffening/softening.

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  1. Electrical and Electronic Engineering, Nanyang Technological University, Singapore, Singapore

    Chang Q. Sun

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Sun, C.Q. (2014). Thermally Driven Density and Phonon-Stiffness Oscillation. In: Relaxation of the Chemical Bond. Springer Series in Chemical Physics, vol 108. Springer, Singapore. https://doi.org/10.1007/978-981-4585-21-7_36

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