作者: H.E. Stanley , C.A. Angell , U. Essmann , M. Hemmati , P.H. Poole
DOI: 10.1016/0378-4371(94)90495-2
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摘要: The supercooled and stretched regions of the phase diagram simulated liquid water are investigated by calculating equation state ST2 TIP4P pair-potentials. We find that does not display a re-entrant spinodal pro- jection density maximum line in plane pressure temperature becomes positively sloped on stretching. well-known anomalous behavior is tentatively associated with existence an inaccessible critical point. Evidence presented suggests association this new point transition be- tween low high amorphous solid water. show how observed transformation two forms can be explained terms first order transition, via consideration limits metastability kind support interpretation simulations solid. therefore propose which accounts for both Liquid one most studied complex fluids. possibility molecule to form hydrogen bonds create open network phases at basis its peculiar (figs. 1 2). inverse correlation between energy volume microscopic level, due strength directionality bond, reflected state. In diagram, anomalies become more pronounced (2,3). effects bond important decreasing