Molecular dynamics study of orientational order and rotational melting in clusters of TeF 6

Molecular dynamics simulations of the behavior of molecules in crystalline clusters of TeF 6 were carried out on systems of 100, 150, 250, and 350 molecules. Several diagnostic functions were applied to investigate whether rotational melting occurred before translational melting. These functions included the coefficient of rotational diffusion D θ ( T ), the “orientational Lindemann index” δ θ ( T ), the “orientational angular distribution function” Q (θ, T ), and the “orientational pair-correlation function” g θ ( r, T ). All indicators implied that rotational melting occurred before translational melting, that it began with the outermost molecules, and that its onset for smaller clusters was at lower temperatures than for larger clusters. Results also showed that the rotational transition coincided with the transition from a lower symmetry phase (monoclinic) to cubic, a phenomenon that had been noted by others to occur with some regularity for systems of globular molecules.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/43961/1/10053_2005_Article_BF01426586.pd

Quantitative complementarity in two-path interferometry

The quantitative formulation of Bohr's complementarity proposed by Greenberger and Yasin is applied to some physical situations for which analytical expressions are available. This includes a variety of conventional double-slit experiments, but also particle oscillations, as in the case of the neutral-kaon system, and Mott scattering of identical nuclei. For all these cases, a unified description can be achieved including a new parameter, $\nu$, which quantifies the effective number of fringes one can observe in each specific interferometric set-up.Comment: 11 RevTex pages, 5 figure