A numerical method for computing three-body interactions in hard sphere mixtures is presented within the framework of density-functional theory. The computational effort is greatly reduced by considering the so-called infinite dilution limit of the functional. By minimizing the free energy in cylindrical coordinates, a whole family of depletion curves versus the size ratio and the packing fraction is obtained.
Accurate calculation of three-body depletion interactions
Melchionna S
2001
Abstract
A numerical method for computing three-body interactions in hard sphere mixtures is presented within the framework of density-functional theory. The computational effort is greatly reduced by considering the so-called infinite dilution limit of the functional. By minimizing the free energy in cylindrical coordinates, a whole family of depletion curves versus the size ratio and the packing fraction is obtained.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
