Permutationally Invariant Polynomial Potential Energy Surfaces for Tropolone and H and D atom Tunneling Dynamics

We report permutationally invariant polynomial (PIP) fits to energies and gradients for 15-atom tropolone. These include standard, augmented, and fragmented PIP bases. Approximately 6600 energies and associated gradients are obtained from direct-dynamics calculations using DFT/B3LYP/6-31+G(d) supplemented by grid calculations spanning an energy range up to roughly 35 000 cm-1. Three fragmentation schemes are investigated with respect to efficiency and fit precision. In addition several fits are done with reduced weight for gradient data relative to energies. These do result in more precision for the H-transfer barrier height. Properties of the fits such as stationary points, harmonic frequencies and the barrier to H-atom transfer are reported and compared to direct calculations. A 1-d model to obtain the tunneling splitting for the ground vibrational state and qualitative predictions for excited vibrational states is employed. Several 1-d double well fits to the PES are developed and used to extrapolate H and D atom tunneling splittings to values at the CCSD(T)-F12 barrier. The level of agreement is within expectations for the method adapted and the level of the electronic structure theory employed

Rotational Viscometry of a Zinc Phosphate and a Zinc Polyacrylate Cement

The rheological properties of a zinc phosphate and a zinc polyacrylate cement were investigated using a rotational viscometer. The effects of time, temperature, shear rate, and spindle geometry on the measured viscosities were evaluated. Results indicated that both cements exhibited Newtonian behavior.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/66697/2/10.1177_00220345770560071001.pd

Cross inhibition improves activity selection when switching incurs time costs

We consider a behavioural model of an animal choosing between two activities, based on positive feedback, and examine the effect of introducing cross inhibition between the motivations for the two activities. While cross-inhibition has previously been included in models of decision making, the question of what benefit it may provide to an animal's activity selection behaviour has not previously been studied. In neuroscience and in collective behaviour cross-inhibition, and other equivalent means of coupling evidence-accumulating pathways, have been shown to approximate statistically-optimal decision-making and to adaptively break deadlock, thereby improving decision performance. Switching between activities is an ongoing decision process yet here we also find that cross-inhibition robustly improves its efficiency, by reducing the frequency of costly switches between behaviours

Ac Stark Effects and Harmonic Generation in Periodic Potentials

The ac Stark effect can shift initially nonresonant minibands in semiconductor superlattices into multiphoton resonances. This effect can result in strongly enhanced generation of a particular desired harmonic of the driving laser frequency, at isolated values of the amplitude.Comment: RevTeX, 10 pages (4 figures available on request), Preprint UCSBTH-93-2

An adaptive variable order quadrature strategy

In this article we propose a new adaptive numerical quadrature procedure which includes both local subdivision of the integration domain, as well as local variation of the number of quadrature points employed on each subinterval. In this way we aim to account for local smoothness properties of the function to be integrated as effectively as possible, and thereby achieve highly accurate results in a very efficient manner. Indeed, this idea originates from so-called hp-version finite element methods which are known to deliver high-order convergence rates, even for nonsmooth functions

Mass transfer characteristics of rotating spiral gas-liquid contacting

The first substantial experimental measurements of mass transfer in a rotating spiral channel are reported for counter-current physical desorption of a range of organic solutes from water into air. General relations in terms of bulk properties are developed that allow analysis and comparison across different solute properties, operating conditions and contacting equipment. The phase flow rate ratio and cleaned-phase throughput per passage volume emerge as parameters of principal importance, the former measuring sufficiency of solvent phase flow and the later mass transfer effectiveness and, consequently, required device size. The analytical solution for an infinitely wide channel is used to probe the finite-width experimental results and an apparently universal pattern of differences involving a peak in mass transfer coefficient emerges. As liquid flow rate decreases, the thickness of the liquid layer decreases and the mass transfer coefficient rises. But with further decrease in liquid flow rate and liquid layer thickness, an increasing fraction of the liquid flows in the corner regions under the end-wall menisci and the poor contact in these regions leads to a falling mass transfer coefficient. The peak is found to occur at a similar liquid layer thickness regardless of gas flow rate or solute equilibrium characteristics. Comparison is made with packed columns and rotating packed beds using available data in the literature. The rotating spiral performance suggests device sizes will be many times smaller than those for the two packed devices considered. Dependence of rotating spiral device volume on the square of channel size is demonstrated, showing that further reduction in device volume is possible

New methodology for describing the equilibrium beach profile applied ti teh Valencia's beachs

[EN] Nuevo metodo de determinación de la profundidad de cierre del prfil de playa y su aplicación para ajustar el volumen de arenas de aportación en alimentaciones artificialesAragones, L.; Serra Peris, JC.; Villacampa, Y.; Saval, JM.; Tinoco, H. (2016). New methodology for describing the equilibrium beach profile applied ti teh Valencia's beachs. Geomorphology. 259:1-11. doi:10.1016/j.geomorph.2015.06.049S11125

All-sky search for long-duration gravitational wave transients with initial LIGO

We present the results of a search for long-duration gravitational wave transients in two sets of data collected by the LIGO Hanford and LIGO Livingston detectors between November 5, 2005 and September 30, 2007, and July 7, 2009 and October 20, 2010, with a total observational time of 283.0 days and 132.9 days, respectively. The search targets gravitational wave transients of duration 10-500 s in a frequency band of 40-1000 Hz, with minimal assumptions about the signal waveform, polarization, source direction, or time of occurrence. All candidate triggers were consistent with the expected background; as a result we set 90% confidence upper limits on the rate of long-duration gravitational wave transients for different types of gravitational wave signals. For signals from black hole accretion disk instabilities, we set upper limits on the source rate density between 3.4×10-5 and 9.4×10-4 Mpc-3 yr-1 at 90% confidence. These are the first results from an all-sky search for unmodeled long-duration transient gravitational waves. © 2016 American Physical Society