The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water

We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of multiple order parameters, where one is density and another distinguishes crystal from liquid. For a range of temperatures and pressures, separate free energy basins for liquid and crystal are found, conditions of phase coexistence between these phases are demonstrated, and time scales for equilibration are determined. We find that at no range of temperatures and pressures is there more than a single liquid basin, even at conditions where amorphous behavior is unstable with respect to the crystal. We find a similar result for a related model of silicon. This result excludes the possibility of the proposed liquid-liquid critical point for the models we have studied. Further, we argue that behaviors others have attributed to a liquid-liquid transition in water and related systems are in fact reflections of transitions between liquid and crystal

GridPP: development of the UK computing Grid for particle physics

The GridPP Collaboration is building a UK computing Grid for particle physics, as part of the international effort towards computing for the Large Hadron Collider. The project, funded by the UK Particle Physics and Astronomy Research Council (PPARC), began in September 2001 and completed its first phase 3 years later. GridPP is a collaboration of approximately 100 researchers in 19 UK university particle physics groups, the Council for the Central Laboratory of the Research Councils and CERN, reflecting the strategic importance of the project. In collaboration with other European and US efforts, the first phase of the project demonstrated the feasibility of developing, deploying and operating a Grid-based computing system to meet the UK needs of the Large Hadron Collider experiments. This note describes the work undertaken to achieve this goal