The melting transition of bulk and confined Stockmayer fluids (μ = 1) is analyzed using molecular dynamic simulations. The solid−liquid coexistence temperature is evaluated using a modified three-stage pseudosupercritical transformation path. The bulk melting temperature calculated using the aforementioned method agrees well with the literature value. Melting temperatures of the Stockmayer flui...

Mixtures of Lennard-Jones and Stockmayer molecules provide a convenient model system which can be used to study the effects of composition and polarity in polar/non-polar mixtures. The structure and phase behaviour of such mixtures are currently topics of great interest Eli. Since the Stockmayer potential, qSs, is obtained from the usual Lennard-Jones potential, ~buj, by the sole addition of a ...

Dielectric microcavities based on cylindrical and deformed cylindrical shapes have been employed as resonators for microlasers. Such systems support spiral resonances with finite momentum along the cylinder axis. For such modes the boundary conditions do not separate and simple TM and TE polarization states do not exist. We formulate a theory for the dispersion relations and polarization proper...

We show that if the Atiyah–Jones conjecture holds for a surface X, then it also holds for the blow-up of X at a point. Since the conjecture is known to hold for P2 and for ruled surfaces, it follows that the conjecture is true for all rational surfaces. Given a 4-manifold X, let MIk(X) denote the moduli space of rank 2 instantons on X with charge k and let Ck(X) denote the space of all connecti...

A cluster is a group of identical molecules or atoms loosely bound by inter-atomic forces. The optimal geometry minimizes the potential energy — usually modelled as the Lennard-Jones potential — of the cluster. The minimization of the Lennard-Jones potential is a very difficult global optimization problem with extremely many local minima. In addition to cluster problems, the Lennard-Jones poten...

One of the most widely used strategies for global optimization employs the concept of classical simulated annealing. In the last decade an alternative approach has been suggested based on quantum simulated annealing. Here, we apply quantum annealing ideas to finding minimum energy structures of Lennard–Jones clusters. We find that quantum annealing is superior to classical simulated annealing b...

We describe a global optimization technique using “basin-hopping” in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features that recent work suggests must be present in an energy landscape for efficient relaxation to the global minimum. The transformation associates any point in configuration spac...