On the Characterization of Inhomogeneity of the Density Distribution in Supercritical Fluids via Molecular Dynamics Simulation and Data Mining Analysis

We combined molecular dynamics simulation and DBSCAN algorithm (Density Based Spatial Clustering of Application with Noise) in order to characterize the local density inhomogeneity distribution in supercritical fluids. The DBSCAN is an algorithm that is capable of finding arbitrarily shaped density...

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Veröffentlicht in:	The journal of physical chemistry. B 2013-10, Vol.117 (40), p.12184-12188
Hauptverfasser:	Idrissi, Abdenacer, Vyalov, Ivan, Georgi, Nikolaj, Kiselev, Michael
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Chemical Sciences Computer simulation Density Fluctuation Inhomogeneity Molecular dynamics or physical chemistry Supercritical fluids Tantalum Theoretical and
Online-Zugang:	Volltext
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