Continuum states of CO+

Continuum states of the CO+ cation are studied as a function of internuclear distances in the range 1.7-3.0 a(0). R-matrix wavefunctions are constructed for 1Sigma(+), (2)Pi, (2)Delta and 4Pi total symmetries by study of collisions of electrons with a CO2+ target. Complex quantum defects are obtained from above threshold energy scattering calculations, yielding resonance energy curves and corresponding electronic couplings to the CO+ continuum. Results are presented and discussed for the high-n Feshbach resonances of the CO+ spectrum converging to excited states of CO2+. These curves are responsible for the recently observed dissociative recombination of Co2+

Quantum and Classical in Adiabatic Computation

Adiabatic transport provides a powerful way to manipulate quantum states. By preparing a system in a readily initialised state and then slowly changing its Hamiltonian, one may achieve quantum states that would otherwise be inaccessible. Moreover, a judicious choice of final Hamiltonian whose groundstate encodes the solution to a problem allows adiabatic transport to be used for universal quantum computation. However, the dephasing effects of the environment limit the quantum correlations that an open system can support and degrade the power of such adiabatic computation. We quantify this effect by allowing the system to evolve over a restricted set of quantum states, providing a link between physically inspired classical optimisation algorithms and quantum adiabatic optimisation. This new perspective allows us to develop benchmarks to bound the quantum correlations harnessed by an adiabatic computation. We apply these to the D-Wave Vesuvius machine with revealing - though inconclusive - results

A Structured Framework and Resources to Use to Get Your Medical Education Work Published.

IntroductionMedical educators often have great ideas for medical education scholarship but have difficulty converting their educational abstract or project into a published manuscript.MethodsDuring this workshop, participants addressed common challenges in developing an educational manuscript. In small-group case scenarios, participants discovered the importance of the "So what?" in making the case for their project. Incorporating conceptual frameworks, participants chose appropriate outcome metrics, discussed how to frame the discussion section, and ensured appropriate journal fit. After each small-group exercise, large-group discussions allowed the small groups to report back so that facilitators could highlight and reinforce key learning points. At the conclusion of the workshop, participants left with a checklist for creating an educational manuscript and an additional resources document to assist them in avoiding common pitfalls when turning their educational abstract/project into a publishable manuscript.ResultsThis workshop was presented in 2016 and 2017. Presenter evaluations were completed by 33 participants; 11 completed conference evaluations. The mean overall rating on presenter evaluations was 4.55 out of 5, while the conference evaluations mean was 3.73 out of 4. Comments provided on both evaluation tools highlighted the perceived effectiveness of the delivery and content. More than 50% of respondents stated that they planned to incorporate the use of conceptual frameworks in future work.DiscussionThis workshop helped participants address common challenges by providing opportunities for hands-on practice as well as tips and resources for use when submitting a medical education manuscript for publication

Role of disorder in the size-scaling of material strength

We study the sample size dependence of the strength of disordered materials with a flaw, by numerical simulations of lattice models for fracture. We find a crossover between a regime controlled by the fluctuations due to disorder and another controlled by stress-concentrations, ruled by continuum fracture mechanics. The results are formulated in terms of a scaling law involving a statistical fracture process zone. Its existence and scaling properties are only revealed by sampling over many configurations of the disorder. The scaling law is in good agreement with experimental results obtained from notched paper samples.Comment: 4 pages 5 figure

CFD Simulations for the Effect of Unsteady Wakes on the Boundary Layer of a Highly Loaded Low-Pressure Turbine Airfoil (L1A)

This report is the third part of a three-part final report of research performed under an NRA cooperative Agreement contract. The first part was published as NASA/CR-2012-217415. The second part was published as NASA/CR-2012-217416. The study of the very high lift low-pressure turbine airfoil L1A in the presence of unsteady wakes was performed computationally and compared against experimental results. The experiments were conducted in a low speed wind tunnel under high (4.9%) and then low (0.6%) freestream turbulence intensity for Reynolds number equal to 25,000 and 50,000. The experimental and computational data have shown that in cases without wakes, the boundary layer separated without reattachment. The CFD was done with LES and URANS utilizing the finite-volume code ANSYS Fluent (ANSYS, Inc.) under the same freestream turbulence and Reynolds number conditions as the experiment but only at a rod to blade spacing of 1. With wakes, separation was largely suppressed, particularly if the wake passing frequency was sufficiently high. This was validated in the 3D CFD efforts by comparing the experimental results for the pressure coefficients and velocity profiles, which were reasonable for all cases examined. The 2D CFD efforts failed to capture the three dimensionality effects of the wake and thus were less consistent with the experimental data. The effect of the freestream turbulence intensity levels also showed a little more consistency with the experimental data at higher intensities when compared with the low intensity cases. Additional cases with higher wake passing frequencies which were not run experimentally were simulated. The results showed that an initial 25% increase from the experimental wake passing greatly reduced the size of the separation bubble, nearly completely suppressing it

Electron molecule collisions calculations using the R-matrix method

The R-matrix method provides a complete theoretical framework for the treatment of low energy electron collisions. Recent results obtained with the UK R-matrix codes are presented focusing on electron impact electronic excitation of water and the CF radical, electron impact dissociation of molecular hydrogen and its isotopomers, and the dissociative recombination of the CO2+ dication. Examples of other processes, studied in recent calculations are also given. (C) 2003 Elsevier Science Ltd. All rights reserved

Description of the topographical changes associated to the different stages of the DsbA catalytic cycle.

This paper provides a description of the surface topography of DsbA, the bacterial disulfide-bond forming enzyme, in the different phases of its catalytic cycle. Three representative states, that is, oxidized and reduced protein and a covalent complex mimicking the DsbA-substrate disulfide intermediate, have been investigated by a combination of limited proteolysis experiments and mass spectrometry methodologies. Protease-accessible sites are largely distributed in the oxidized form with a small predominance inside the thioredoxin domain. Proteolysis occurs even in secondary structure elements, revealing a significant mobility of the protein. Many cleavage sites disappear in the reduced form and most of the remaining ones appear with strongly reduced kinetics. The protein within the complex shows an intermediate behavior. This variation of flexibility in DsbA is probably the determining factor for the course of its catalytic cycle. In particular, the great mobility of the oxidized protein might facilitate the accommodation of its various substrates, whereas the increasing rigidity from the complexed to the reduced form could help the release of oxidized products. The formation of the complex between PID peptide and DsbA does not significantly protect the enzyme against proteolysis, reinforcing the results previously obtained by calorimetry concerning the weakness of their interaction. The few cleavage sites observed, however, are in favor of the presence of the peptide in the binding site postulated from crystallographic studies. As for the peptide itself, the proteolytic pattern and the protection effect exerted by DsbA could be explained by a preferential orientation within the binding site

A mathematical model of low-head oxygenators

AbstractA mathematical model is presented that predicts the performance of low-head oxygenators (LHO). Experimentally determined values of G20 for a single hole in a flooded orifice plate were used as the basis to develop a mathematical model that can be used to predict LHO performance under a variety of design and operating conditions. Model predictions were compared to two published studies. The model predicted the published data for dissolved oxygen levels in the departing effluent within 2–3%, oxygen absorption efficiencies within 5–6%, and total gas pressures within 1%. The mathematical model is thoroughly developed including an analysis of numerical stability and necessary restrictions to assure stability and accuracy. Convergence based solely upon effluent values was not sufficient to produce accurate results, but required additional criteria of requiring a minimum number of chamber flushings prior to convergence checking. The model was used to demonstrate its utility in predicting the effects of G/L ratio on gas absorption efficiency, effluent gas conditions and the effects of number of LHO chambers used. This model allows the designer or operator of an LHO to easily make design and operational decisions by modifying the input parameters and observing the exit conditions and performance indicators

Integrating Airborne Laser Scanning and 3D Ground-Penetrating Radar for the Investigation of Protohistoric Structures in Croatian Istria

We present the investigation of two rather ephemeral archaeological sites located in the municipality of Oprtalj/Portole (Croatian Istria) by means of integrated archaeological, geophysical and remote sensing techniques. The results obtained confirm the first interpretation of these contexts; a protohistoric burial mound and a small hillfort, respectively. We further obtained detailed information about both deposits through 2D and 3D remote sensing and geophysical studies that produced maps, volumes, profiles and cross-sections. At the first site, the volume reconstruction of both the inner stone core and the superimposed earth of the putative stone mound also allowed us to estimate the labour necessary to erect the structure. In conclusion, our study demonstrates that the integrated approach can be valuable not only to acquire novel data about the archaeological deposits but also to calibrate future investigations and to plan effective measures for heritage management, monitoring and valorization

Size effects in statistical fracture

We review statistical theories and numerical methods employed to consider the sample size dependence of the failure strength distribution of disordered materials. We first overview the analytical predictions of extreme value statistics and fiber bundle models and discuss their limitations. Next, we review energetic and geometric approaches to fracture size effects for specimens with a flaw. Finally, we overview the numerical simulations of lattice models and compare with theoretical models.Comment: review article 19 pages, 5 figure