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Water evaporation - MD - 01

Version 2 2017-12-06, 17:48
Version 1 2017-12-06, 17:33
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posted on 2017-12-06, 17:48 authored by John KarnesJohn Karnes, Ilan BenjaminIlan Benjamin
Evaporation of a molecule of water: this 25 second video is 4.66 ps of simulation time. The evaporating water molecule is blue to make tracking easier and the green dashed lines indicate water-water hydrogen bonds.

Simulation temperature = 330 K and the water model is a modified flexible simple point charge (SPC) with intermolecular potentials as described by Kuchitsu and Morino (1965.)

Funding

National Science Foundation, University of California, Santa Cruz Chancellor's Dissertation-Year Fellowship

History