Arxiv-submission.pdf

Title：

Missing short-range interactions in the O:H-O bond of compressed ice.

http://arxiv.org/abs/1305.2997.

Combining the Lagrangian-Laplace mechanicsand the known pressure dependence of the length-stiffness relaxation dynamics,we have determined the critical, yet often-overlooked, short-range interactionsin the O:H–Ohydrogen bond of compressed ice. This approach has enabled determination of theforce constant, cohesive energy, potential energy of the O:H and the H–O segment at each quasi-equilibrium state as wellas their pressure dependence. Evidencing the essentiality of the inter-electron-pairCoulomb repulsion and the segmental strength disparity in determining the asymmetricO:H–Orelaxation dynamics and the anomalous properties of ice, results confirmed thatcompression shortens and stiffens the O:H bondand meanwhile lengthens and softens the H–Obond.