Lennard-Jones parameters for use in combustion modeling, as transport parameters and in pressure-dependent rate-coefficient calculations as collision rate parameters, are calculated from accurate full-dimensional intermolecular potentials. Several first-principles theoretical methods are considered. In the simplest approach, the intermolecular potential is isotropically averaged and used to det...

An optimization scheme for atomic cluster structures, based on exaggerating the importance of the gravitational force, is introduced. Results are presented for calculations on Lennard-Jones clusters of 13, 38, and 55 atoms, and the 13-atom Morse cluster.

Abstract Matryoshka dolls, the traditional Russian nesting figurines, are known worldwide for each doll’s encapsulation of a sequence smaller dolls. In this paper, we exploit structure new nested matrices call matryoshkan in order to compute moments one-dimensional polynomial processes, large class Markov processes. We characterize salient properties that allow us these closed form at specific ...

Confined liquid crystals (LC) provide a unique platform for technological applications and for the study of LC properties, such as bulk elasticity, surface anchoring, and topological defects. In this work, lyotropic chromonic liquid crystals (LCLCs) are confined in spherical droplets, and their director configurations are investigated as a function of mesogen concentration using bright-field an...

It is shown that the two-by-two Jones-matrix formalism for polarization optics is a six-parameter two-by-two representation of the Lorentz group. The attenuation and phase-shift filters are represented respectively by the threeparameter rotation subgroup and the three-parameter Lorentz group for two spatial and one time dimensions. It is noted that the Lorentz group has another three-parameter ...