631 research outputs found

    The Effect of Adding Features on Product Attractiveness: the Role of Product Perceived Congruity

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    This paper investigates the effect of adding more features on product evaluation. We argue that product evaluation as the number of features increases depends on the congruity of the features added with the product. We show that adding features leads to increased product attractiveness if these features are congruent with the product, but not if these features are moderately or extremely incongruent. However, the manipulation of two factors, task involvement and temporal construal, has been shown to make product evaluation increase as more moderately (but not extremely) incongruent features are added to the product

    Roaming: a phase space perspective

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    In this review we discuss the recently described roaming mechanism for chemical reactions from the point of view of nonlinear dynamical systems in phase space. The recognition of the roaming phenomenon shows the need for further developments in our fundamental understanding of basic reaction dynamics, as is made clear by considering some questions that cut across most studies of roaming: Is the dynamics statistical? Can transition state theory be applied to estimate roaming reaction rates? What role do saddle points on the potential energy surface play in explaining the behavior of roaming trajectories? How do we construct a dividing surface that is appropriate for describing the transformation from reactants to products for roaming trajectories? How should we define the roaming region? We show that the phase space perspective on reaction dynamics provides the setting in which these questions can be properly framed and answered. We illustrate these ideas by considering photodissociation of formaldehyde. The phase-space formulation allows an unambiguous description of all possible reactive events, which also allows us to uncover the phase space mechanism that explains which trajectories roam, as opposed to evolving toward a different reactive event

    Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone

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    We examine the phase space structures that govern reactiondynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori, it is possible to define phase space dividing surfaces that are analogous to the dividing surfaces governing transition from reactants to products near a critical point of the potential energy surface. We investigate the problem of capture of an atom by a diatomic molecule and show that a normally hyperbolic invariant manifold exists at large atom-diatom distances, away from any critical points on the potential. This normally hyperbolic invariant manifold is the anchor for the construction of a dividing surface in phase space, which defines the outer or loose transition state governing capture dynamics. We present an algorithm for sampling an approximate capture dividing surface, and apply our methods to the recombination of the ozone molecule. We treat both 2 and 3 degrees of freedom models with zero total angular momentum. We have located the normally hyperbolic invariant manifold from which the orbiting (outer) transition state is constructed. This forms the basis for our analysis of trajectories for ozone in general, but with particular emphasis on the roaming trajectories

    The FUV spectrum of TW Hya. I. Observations of H2_2 Fluorescence

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    We observed the classical T Tauri star TW Hya with \textit{HST}/STIS using the E140M grating, from 1150--1700 \AA, with the E230M grating, from 2200--2900 \AA, and with \FUSE from 900--1180 \AA. Emission in 143 Lyman-band H2_2 lines representing 19 progressions dominates the spectral region from 1250--1650 \AA. The total H2_2 emission line flux is 1.94×10121.94 \times 10^{-12} erg cm2^{-2} s1^{-1}, which corresponds to 1.90×1041.90\times10^{-4} LL_\odot at TW Hya's distance of 56 pc. A broad stellar \Lya line photoexcites the H2_2 from excited rovibrational levels of the ground electronic state to excited electronic states. The \ion{C}{2} 1335 \AA doublet, \ion{C}{3} 1175 \AA\ multiplet, and \ion{C}{4} 1550 \AA doublet also electronically excite H2_2. The velocity shift of the H2_2 lines is consistent with the photospheric radial velocity of TW Hya, and the emission is not spatially extended beyond the 0\farcs05 resolution of \textit{HST}. The H2_2 lines have an intrinsic FWHM of 11.91±0.1611.91\pm0.16 \kms. One H2_2 line is significantly weaker than predicted by this model because of \ion{C}{2} wind absorption. We also do not observe any H2_2 absorption against the stellar \Lya profile. From these results, we conclude that the H2_2 emission is more consistent with an origin in a disk rather than in an outflow or circumstellar shell. We also analyze the hot accretion-region lines (e.g., \ion{C}{4}, \ion{Si}{4}, \ion{O}{6}) of TW Hya, which are formed at the accretion shock, and discuss some reasons why Si lines appear significantly weaker than other TR region lines.Comment: accepted by ApJ, 42 pages -- 20 text, 11 figure

    Phase Space Structures Explain Hydrogen Atom Roaming in Formaldehyde Decomposition

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    We re-examine the prototypical roaming reaction—hydrogen atom roaming in formaldehyde decomposition—from a phase space perspective. Specifically, we address the question “why do trajectories roam, rather than dissociate through the radical channel?” We describe and compute the phase space structures that define and control all possible reactive events for this reaction, as well as provide a dynamically exact description of the roaming region in phase space. Using these phase space constructs, we show that in the roaming region, there is an unstable periodic orbit whose stable and unstable manifolds define a conduit that both encompasses all roaming trajectories exiting the formaldehyde well and shepherds them toward the H2···CO well

    Fast-timing measurements in the ground-state band of 114Pd

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    Using a hybrid Gammasphere array coupled to 25 LaBr3(Ce) detectors, the lifetimes of the first three levels of the yrast band in 114Pd, populated via 252Cf decay, have been measured. The measured lifetimes are τ2+ = 103(10) ps, τ4+ = 22(13) ps, and τ6+ 10 ps for the 2+ 1 , 4+ 1 , and 6+ 1 levels, respectively. Palladium-114 was predicted to be the most deformed isotope of its isotopic chain, and spectroscopic studies have suggested it might also be a candidate nucleus for low-spin stable triaxiality. From the lifetimes measured in this work, reduced transition probabilities B(E2; J → J − 2) are calculated and compared with interacting boson model, projected shell model, and collective model calculations from the literature. The experimental ratio RB(E2) = B(E2; 4+ 1 → 2+ 1 )/B(E2; 2+ 1 → 0+ 1 ) = 0.80(42) is measured for the first time in 114Pd and compared with the known values RB(E2) in the palladium isotopic chain: the systematics suggest that, for N = 68, a transition from γ -unstable to a more rigid γ -deformed nuclear shape occurs.This work was financially supported by the Science and Technology Facility Council (STFC) Grants No. ST/L005840/1, No. ST/L005743/1, and No. ST/G000751/1. This work has also been partially supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under Contract No. DE-AC02-06CH11357 (ANL). E.R.G. would like to acknowledge the STFC for funding via his Ph.D. studentship. D.J.H. acknowledges the National Science Foundation, Grant No. PHY-1502092. E.A.S. and O.Y. would like to acknowledge the project DFNI-E02/6

    Towards Understanding the Roaming Mechanism in H + MgH → Mg + HH Reaction

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    The roaming mechanism in the reaction H + MgH →Mg + HH is investigated by classical and quantum dynamics employing an accurate ab initio three-dimensional ground electronic state potential energy surface. The reaction dynamics are explored by running trajectories initialized on a four-dimensional dividing surface anchored on three-dimensional normally hyperbolic invariant manifold associated with a family of unstable orbiting periodic orbits in the entrance channel of the reaction (H + MgH). By locating periodic orbits localized in the HMgH well or involving H orbiting around the MgH diatom, and following their continuation with the total energy, regions in phase space where reactive or nonreactive trajectories may be trapped are found. In this way roaming reaction pathways are deduced in phase space. Patterns similar to periodic orbits projected into configuration space are found for the quantum bound and resonance eigenstates. Roaming is attributed to the capture of the trajectories in the neighborhood of certain periodic orbits. The complex forming trajectories in the HMgH well can either return to the radical channel or “roam” to the MgHH minimum from where the molecule may react

    Empirical Classification of Trajectory Data:An Opportunity for the Use of Machine Learning in Molecular Dynamics

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    Classical Hamiltonian trajectories are initiated at random points in phase space on a fixed energy shell of a model two degrees of freedom potential, consisting of two interacting minima in an otherwise flat energy plane of infinite extent. Below the energy of the plane, the dynamics are demonstrably chaotic. However, most of the work in this paper involves trajectories at a fixed energy that is 1% above that of the plane, in which regime the dynamics exhibit behavior characteristic of chaotic scattering. The trajectories are analyzed without reference to the potential, as if they had been generated in a typical direct molecular dynamics simulation. The questions addressed are whether one can recover useful information about the structures controlling the dynamics in phase space from the trajectory data alone, and whether, despite the at least partially chaotic nature of the dynamics, one can make statistically meaningful predictions of trajectory outcomes from initial conditions. It is found that key unstable periodic orbits, which can be identified on the analytical potential, appear by simple classification of the trajectories, and that the specific roles of these periodic orbits in controlling the dynamics are also readily discerned from the trajectory data alone. Two different approaches to predicting trajectory outcomes from initial conditions are evaluated, and it is shown that the more successful of them has ∼90% success. The results are compared with those from a simple neural network, which has higher predictive success (97%) but requires the information obtained from the “by-hand” analysis to achieve that level. Finally, the dynamics, which occur partly on the very flat region of the potential, show characteristics of the much-studied phenomenon called “roaming.” On this potential, it is found that roaming trajectories are effectively “failed” periodic orbits and that angular momentum can be identified as a key controlling factor, despite the fact that it is not a strictly conserved quantity. It is also noteworthy that roaming on this potential occurs in the absence of a “roaming saddle,” which has previously been hypothesized to be a necessary feature for roaming to occur
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