Abstract
As a step toward elucidating the connection between the structure and mobility of liquid water, we analyze quenched molecular dynamics configurations at different densities. We find that the mobility is directly related to the existence of ‘‘topological defects’’ of the tetrahedral network. The defects act as catalysts, providing lower energy pathways between different tetrahedral local arrangements.
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Dates
Type | When |
---|---|
Created | 23 years, 1 month ago (July 26, 2002, 8:21 a.m.) |
Deposited | 1 year, 6 months ago (Feb. 10, 2024, 9:05 a.m.) |
Indexed | 3 weeks ago (Aug. 7, 2025, 4:31 p.m.) |
Issued | 33 years, 5 months ago (March 1, 1992) |
Published | 33 years, 5 months ago (March 1, 1992) |
Published Print | 33 years, 5 months ago (March 1, 1992) |
@article{Sciortino_1992, title={Network defects and molecular mobility in liquid water}, volume={96}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.461890}, DOI={10.1063/1.461890}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Sciortino, Francesco and Geiger, Alfons and Stanley, H. Eugene}, year={1992}, month=mar, pages={3857–3865} }