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The exponentially repulsive EXP pair potential defines a system of particles in terms of which simple liquids quasiuniversality may be explained [A. K. Bacher et al., Nat. Commun. 5, 5424 (2014); J. C. Dyre, J. Phys. Condens. Matter 28, 323001 (2016)]. This paper and its companion present a detailed simulation study of the EXP system. Here we study how structure monitored via the radial distribution function and dynamics monitored via the mean-square displacement as a function of time evolve along the systems isotherms and isochores. The focus is on the gas and liquid phases, which are distinguished pragmatically by the absence or presence of a minimum in the radial distribution function above its first maximum. An NVU-based proof of quasiuniversality is presented, and quasiuniversality is illustrated by showing that the structure of the Lennard-Jones system at four selected state points is well approximated by those of EXP pair-potential systems with the same reduced diffusion constant. The companion paper studies the EXP systems isomorphs, focusing also on the gas and liquid phases.
This paper continues the investigation of the exponentially repulsive EXP pair-potential system of Paper I with a focus on isomorphs in the low-temperature gas and liquid phases. As expected from the EXP systems strong virial potential-energy correla
To study the possibility of a fluid-fluid phase transition, we analyze a three-dimensional soft-core isotropic potential for a one-component system. We utilize two independent numerical approaches, (i) integral equation in the hypernetted-chain appro
An iterative Monte Carlo inversion method for the calculation of particle pair potentials from given particle pair correlations is proposed in this paper. The new method, which is best referred to as Iterative Ornstein-Zernike Inversion, represents a
The effective pair potentials between different kinds of dendrimers in solution can be well approximated by appropriate Gaussian functions. We find that in binary dendrimer mixtures the range and strength of the effective interactions depend strongly
We investigate the phase behaviour of a system of particles interacting through the exp-6 pair potential, a model interaction that is appropriate to describe effective interatomic forces under high compression. The soft-repulsive component of the pot