Structure of the First and Second Neighbor Shells of Water: Quantitative Relation with Translational and Orientational Order
نویسندگان
چکیده
Zhenyu Yan, Sergey V. Buldyrev, Pradeep Kumar, Nicolas Giovambattista, Pablo G. Debenedetti and H. Eugene Stanley Center for Polymer Studies and Department of Physics, Boston University, Boston MA 02215, USA Department of Physics, Yeshiva University, 500 West 185th Street, New York, NY 10033 USA Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544-5263 USA (Dated: December 24, 2013)
منابع مشابه
Structure of the first- and second-neighbor shells of simulated water: quantitative relation to translational and orientational order.
We perform molecular dynamics simulations of water using the five-site transferable interaction potential (TIP5P) model to quantify structural order in both the first shell (defined by four nearest neighbors) and second shell (defined by twelve next-nearest neighbors) of a central water molecule. We find that the anomalous decrease of orientational order upon compression occurs in both shells, ...
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