Pair correlation functions in mixtures of Lennard-Jones particles
作者： Arieh Ben-Naim , Raymond Mountain
DOI: 10.1063/1.2931940
关键词: Correlation method 、 Chemistry 、 Molecular dynamics 、 Radial distribution function 、 Composition (combinatorics) 、 Lennard-Jones potential 、 Pair correlation 、 Statistical physics
摘要: The pair correlation functions for a mixture of two Lennard–Jones particles were computed by both the Percus–Yevick equations and molecular dynamics. changes in function resulting from composition mixtures are quite unexpected. Essentially, identical obtained dynamics simulations. reason this unexpected behavior is discussed.
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