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Coulomb repulsion between the bonding electron pair in the H-O covalent bond(denoted by "-") and the nonbonding electron pair of O (":") and thespecific-heat disparity between the O:H and the H-O segments of the entirehydrogen bond (O:H-O) are shown to determine the O:H-O bondangle-length-stiffness relaxation dynamics and the density anomalies of waterand ice. The bonding part with relatively lower specific-heat is more easilyactivated by cooling, which serves as the "master" and contracts, while forcingthe "slave" with higher specific-heat to elongate (via Coulomb repulsion) bydifferent amounts. In the liquid and solid phases, the O:H van der Waals bondserves as the master and becomes significantly shorter and stiffer while theH-O bond becomes slightly longer and softer (phonon frequency is a measure ofbond stiffness), resulting in an O:H-O cooling contraction and the seemingly"regular" process of cooling densification. In the water-ice transition phase,the master and the slave swap roles, thus resulting in an O:H-O elongation andvolume expansion during freezing. In ice, the O--O distance is longer than itis in water, resulting in a lower density, so that ice floats.

Mass-density and Phonon-frequency Relaxation Dynamics of Water and Ice at Cooling