394216 Long-Range Correlations in Liquid Water

Monday, November 17, 2014: 3:55 PM
M109 (Marriott Marquis Atlanta)
Nancy Figueroa, Northeastern University, Boston, MA

The purpose of this research project was to observe water molecules’ environments to determine whether or not the system forms identifiable clusters of similar environments. The different clusters aid in proving the hypothesis that different water patches at differing high and low densities values form in a size of 1nm in a system at room and lower temperatures. Molecular dynamics computer simulations were done using the dl_poly classic program with the water model potential TIP4P/2005. The simulations were run at various configurations for density, temperature, and pressure. The results were read by a program, which took the file from the simulations and determined the coordinate positions of the water molecules. Different clusters were found based on the results. These results are indicative of distinctive structures formed in supercooled water that may lead to the water patches of varying densities.

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