Unimolecular reaction rates in solution and in the isolated molecule: Comparison of diphenyl butadiene nonradiative decay in solutions and supersonic jets

The recent study of diphenyl butadiene (DPB) in supersonic jets and in solution by Shepanski et al.(1) and by Courtney and Felming(2), respectively, provides an opportunity to compare the isomerization rates measured in the isolated molecule (jet) with those measured at very low viscosity in solution. These comparisons should shed light on the vibrational energy flows between “optical” and “reactive” modes in the isolated molecule and on the connection between activated, friction dependent, models of barrier crossing in solution,(3-5) and statistical RRK (or RRKM) theories of gas phase unimolecular reactions(6)

Non-Markovian Dynamics and Entanglement of Two-level Atoms in a Common Field

We derive the stochastic equations and consider the non-Markovian dynamics of a system of multiple two-level atoms in a common quantum field. We make only the dipole approximation for the atoms and assume weak atom-field interactions. From these assumptions we use a combination of non-secular open- and closed-system perturbation theory, and we abstain from any additional approximation schemes. These more accurate solutions are necessary to explore several regimes: in particular, near-resonance dynamics and low-temperature behavior. In detuned atomic systems, small variations in the system energy levels engender timescales which, in general, cannot be safely ignored, as would be the case in the rotating-wave approximation (RWA). More problematic are the second-order solutions, which, as has been recently pointed out, cannot be accurately calculated using any second-order perturbative master equation, whether RWA, Born-Markov, Redfield, etc.. This latter problem, which applies to all perturbative open-system master equations, has a profound effect upon calculation of entanglement at low temperatures. We find that even at zero temperature all initial states will undergo finite-time disentanglement (sometimes termed "sudden death"), in contrast to previous work. We also use our solution, without invoking RWA, to characterize the necessary conditions for Dickie subradiance at finite temperature. We find that the subradiant states fall into two categories at finite temperature: one that is temperature independent and one that acquires temperature dependence. With the RWA there is no temperature dependence in any case.Comment: 17 pages, 13 figures, v2 updated references, v3 clarified results and corrected renormalization, v4 further clarified results and new Fig. 8-1

Creutz Ratios From Color-Truncated Lattice Configurations

We investigate whether information about Creutz ratios is encoded, separately, in each gluon color component of numerically generated lattice configurations. Working in SU(2) lattice gauge theory in Landau gauge, we set two of the three gluon color components to zero, and compensate for the loss of two-thirds of the fluctuation by simply rescaling the remaining component by a factor of $\sqrt{3}$. Creutz ratios are then computed with this "abelianized" configuration. We find that the Creutz ratios of loops constructed from abelianized links converge to the usual Creutz ratios in the scaling regime.Comment: 5 pages, plain LaTeX, one figur

Particle dynamics inside shocks in Hamilton-Jacobi equations

Characteristics of a Hamilton-Jacobi equation can be seen as action minimizing trajectories of fluid particles. For nonsmooth "viscosity" solutions, which give rise to discontinuous velocity fields, this description is usually pursued only up to the moment when trajectories hit a shock and cease to minimize the Lagrangian action. In this paper we show that for any convex Hamiltonian there exists a uniquely defined canonical global nonsmooth coalescing flow that extends particle trajectories and determines dynamics inside the shocks. We also provide a variational description of the corresponding effective velocity field inside shocks, and discuss relation to the "dissipative anomaly" in the limit of vanishing viscosity.Comment: 15 pages, no figures; to appear in Philos. Trans. R. Soc. series

Q methodology: quantitative aspects of data analysis in a study of student nurse perceptions of dignity in care. [Case study]

The purpose of this case is to introduce you to quantitative aspects of analysing Q methodology data; a process I found complex and challenging as a novice Q-researcher. The case is illustrated by reference to a Q methodology doctoral study, exploring student nurses' perceptions of preserving dignity in care. I benefited greatly from the generosity of those in the Q methodology community who shared the practical lessons they had learned from analysing their own data. This case is intended in that same spirit of generosity, for those at the beginning of their own journey into Q methodology data analysis. This paper focuses on the analysis of the data derived from the Q-sorts of its twenty-one participants, rather than the research design and findings

Centers of Mass and Rotational Kinematics for the Relativistic N-Body Problem in the Rest-Frame Instant Form

In the Wigner-covariant rest-frame instant form of dynamics it is possible to develop a relativistic kinematics for the N-body problem. The Wigner hyperplanes define the intrinsic rest frame and realize the separation of the center-of-mass. Three notions of {\it external} relativistic center of mass can be defined only in terms of the {\it external} Poincar\'e group realization. Inside the Wigner hyperplane, an {\it internal} unfaithful realization of the Poincar\'e group is defined. The three concepts of {\it internal} center of mass weakly {\it coincide} and are eliminated by the rest-frame conditions. An adapted canonical basis of relative variables is found. The invariant mass is the Hamiltonian for the relative motions. In this framework we can introduce the same {\it dynamical body frames}, {\it orientation-shape} variables, {\it spin frame} and {\it canonical spin bases} for the rotational kinematics developed for the non-relativistic N-body problem.Comment: 78 pages, revtex fil

Empirical wind model for the middle and lower atmosphere. Part 1: Local time average

The HWM90 thermospheric wind model was revised in the lower thermosphere and extended into the mesosphere and lower atmosphere to provide a single analytic model for calculating zonal and meridional wind profiles representative of the climatological average for various geophysical conditions. Gradient winds from CIRA-86 plus rocket soundings, incoherent scatter radar, MF radar, and meteor radar provide the data base and are supplemented by previous data driven model summaries. Low-order spherical harmonics and Fourier series are used to describe the major variations throughout the atmosphere including latitude, annual, semiannual, and longitude (stationary wave 1). The model represents a smoothed compromise between the data sources. Although agreement between various data sources is generally good, some systematic differences are noted, particularly near the mesopause. Root mean square differences between data and model are on the order of 15 m/s in the mesosphere and 10 m/s in the stratosphere for zonal wind, and 10 m/s and 4 m/s, respectively, for meridional wind

X ray observations of late-type stars using the ROSAT all-sky survey

The ROSAT mission made the first x ray survey of the entire sky using an imaging detector. Although ROSAT is a joint NASA/German project and involves direct American participation during its second phase of pointed observations, the all-sky survey remains the sole property of the German investigators. NASA grant represented the first use of ROSAT data analysis funds to support direct American participation in the ROSAT all-sky survey. The project involved a collaborative agreement between the Joint Institute for Laboratory Astrophysics (JILA) and the Max-Planck-Institut fur Extraterrestrische Physik (MPE) where JILA supplied MPE with a post-doctoral research associate with experience in the field of stellar (coronal) x ray emission to work within their ROSAT group. In return, members of the cool star research group at JILA were given the opportunity to collaborate on projects involving ROSAT all-sky survey data. Both sides have benefitted (and still benefit) from this arrangement since MPE suffers from a shortage of researchers who are interested in x ray emission from 'normal' stars and white dwarfs. MPE has also drawn upon experience in optical identification of x ray sources from the Einstein Extended Medium Sensitivity Survey in planning their own identification strategies for the ROSAT all-sky survey. The JILA cool stars group has benefitted since access to all-sky survey data has expanded the scope of their already extensive research programs involving multiwavelength observations of late-type stars. ROSAT was successfully launched on 1 June 1990 and conducted the bulk of the survey from 30 July 1990 to 25 January 1991. Data gaps in the survey have subsequently been made up. At the time of this writing (February 1992), the survey data have been processed once with the Standard Analysis Software System (SASS). A second processing will soon begin with improvements made to the SASS to correct errors and bugs found while carrying out scientific projects with data from the first processing. We outline the major research activities of Dr. Fleming over the past year (detailed accounts of his activities during the first two years of this grant can be found in the first-year and second-year status reports on this grant). Regarding the three specific projects which were proposed in the original proposal, two of them (White Dwarfs and Late M Dwarfs) are near completion. The results are described in two conference proceedings which are appended

Running coupling and mass anomalous dimension of SU(3) gauge theory with two flavors of symmetric-representation fermions

We have measured the running coupling constant of SU(3) gauge theory coupled to Nf=2 flavors of symmetric representation fermions, using the Schrodinger functional scheme. Our lattice action is defined with hypercubic smeared links which, along with the larger lattice sizes, bring us closer to the continuum limit than in our previous study. We observe that the coupling runs more slowly than predicted by asymptotic freedom, but we are unable to observe fixed point behavior before encountering a first order transition to a strong coupling phase. This indicates that the infrared fixed point found with the thin-link action is a lattice artifact. The slow running of the gauge coupling permits an accurate determination of the mass anomalous dimension for this theory, which we observe to be small, gamma_m < 0.6, over the range of couplings we can reach. We also study the bulk and finite-temperature phase transitions in the strong coupling region.Comment: 17 pages, 16 figures. Substantial modifications to explain why the fat-link result for the beta function supersedes our thin-link result; also updated the phase diagram to reflect additional numerical work. Added references. Final versio