Symplectic reduction and topology for applications in classical molecular dynamics

This paper aims to introduce readers with backgrounds in classical molecular dynamics to some ideas in geometric mechanics that may be useful. This is done through some simple but specific examples: (i) the separation of the rotational and internal energies in an arbitrarily floppy N-body system and (ii) the reduction of the phase space accompanying the change from the laboratory coordinate system to the center of mass coordinate system relevant to molecular collision dynamics. For the case of two-body molecular systems constrained to a plane, symplectic reduction is employed to demonstrate explicitly the separation of translational, rotational, and internal energies and the corresponding reductions of the phase space describing the dynamics for Hamiltonian systems with symmetry. Further, by examining the topology of the energy-momentum map, a unified treatment is presented of the reduction results for the description of (i) the classical dynamics of rotating and vibrating diatomic molecules, which correspond to bound trajectories and (ii) the classical dynamics of atom–atom collisions, which correspond to scattering trajectories. This provides a framework for the treatment of the dynamics of larger N-body systems, including the dynamics of larger rotating and vibrating polyatomic molecular systems and the dynamics of molecule–molecule collisions

Observation of strong electron dephasing in disordered Cu93_{93}Ge4_4Au3_3 thin films

We report the observation of strong electron dephasing in a series of disordered Cu$_{93}$Ge$_4$Au$_3$ thin films. A very short electron dephasing time possessing very weak temperature dependence around 6 K, followed by an upturn with further decrease in temperature below 4 K, is found. The upturn is progressively more pronounced in more disordered samples. Moreover, a ln$T$ dependent, but high-magnetic-field-insensitive, resistance rise persisting from above 10 K down to 30 mK is observed in the films. These results suggest a nonmagnetic dephasing process which is stronger than any known mechanism and may originate from the coupling of conduction electrons to dynamic defects.Comment: to appear in Phys. Rev. Let

Pricing under innovation

We study pricing when firms introduce process and product innovations over time. We set up a model of endogenous productivity and markup under imperfect competition and dynamic pricing. We estimate it using output price indices reported by an unbalanced panel of 2,300 Spanish manufacturing firms during 1990-2006. Markups turn out to be procyclical and change with the introduction of innovations. Firms use innovation to increase margins, but product innovators are careful to raise prices on new or improved goods. Process innovations tend to leave prices unchanged, product innovations tend to raise prices and firms that introduce both tend to decrease them

Low temperature dephasing saturation from elastic magnetic spin disorder and interactions

We treat the question of the low temperature behavior of the dephasing rate of the electrons in the presence of elastic spin disorder scattering and interactions. In the frame of a self-consistent diagrammatic treatment, we obtain saturation of the dephasing rate in the limit of low temperature for magnetic scattering, in agreement with the non-interacting case. The magnitude of the dephasing rate is set by the strength of the magnetic scattering rate. We discuss the agreement of our results with relevant experiments.Comment: This paper supersedes cond-mat/021022

Numerical solutions of 2-D multi-stage rotor/stator unsteady flow interactions

The Rai method of single-stage rotor/stator flow interaction is extended to handle multistage configurations. In this study, a two-dimensional Navier-Stokes multi-zone approach was used to investigate unsteady flow interactions within two multistage axial turbines. The governing equations are solved by an iterative, factored, implicit finite-difference, upwind algorithm. Numerical accuracy is checked by investigating the effect of time step size, the effect of subiteration in the Newton-Raphson technique, and the effect of full viscous versus thin-layer approximation. Computer results compared well with experimental data. Unsteady flow interactions, wake cutting, and the associated evolution of vortical entities are discussed

Electronic spectrum of crystalline antimony

Electronic spectrum of crystalline antimon