Pseudo hard sphere potential

From SklogWiki
Jump to navigation Jump to search

The pseudo hard sphere potential (PHS) [1] is a piecewise continuous variant of the Mie potential, which is "cut-and-shifted" according to the Weeks-Chandler-Andersen recipe. The potential is given by (Eq. 9):

Molecular dynamics simulations of this idealised model, when performed at a reduced temperature of reproduces results for the hard sphere model (for example, the Carnahan-Starling equation of state), which is generally only amenable to Monte Carlo simulations, or advanced techniques such as Event-driven molecular dynamics.


Related reading