7 research outputs found
Zero temperature phase diagram of the square-shoulder system
Particles that interact via a square-shoulder potential, consisting of an
impenetrable hard core with an adjacent, repulsive, step-like corona, are able
to self-organize in a surprisingly rich variety of rather unconventional
ordered structures. Using optimization strategies that are based on ideas of
genetic algorithms we encounter, as we systematically increase the pressure,
the following archetypes of aggregates: low-symmetry cluster and columnar
phases, followed by lamellar particle arrangements, until at high pressure
values compact, high-symmetry lattices emerge. These structures are
characterized in the NPT ensemble as configurations of minimum Gibbs free
energy. Based on simple considerations, i.e., basically minimizing the number
of overlapping coronae while maximizing at the same time the density, the
sequence of emerging structures can easily be understood.Comment: Submitted to J. Chem. Phy
Liquid-vapor transition of systems with mean field universality class
We have considered a system where the interaction, v(r) = v_IS(r) + xi^2
v_MF(r), is given as a linear combination of two potentials, each of which
being characterized with a well-defined critical behavior: for v_IS(r) we have
chosen the potential of the restricted primitive model which is known to belong
to the Ising 3D (IS) universality class, while for v_MF(r) we have considered a
long-range interaction in the Kac-limit, displaying mean field (MF) behavior.
We study the performance of two theoretical approaches and of computer
simulations in the critical region for this particular system and give a
detailed comparison between theories and simulation of the critical region and
the location of the critical point. Both, theory and simulation give evidence
that the system belongs to the MF universality class for any positive value of
xi and that it shows only non-classical behavior for xi=0. While in this
limiting case theoretical approaches are known to fail, we find good agreement
for the critical properties between the theoretical approaches and the
simulations for xi^2 larger than 0.05.Comment: 9 pages, 11 figures, 3 table