Hole polaron formation and migration in olivine phosphate materials

By combining first principles calculations and experimental XPS measurements, we investigate the electronic structure of potential Li-ion battery cathode materials LiMPO4 (M=Mn,Fe,Co,Ni) to uncover the underlying mechanisms that determine small hole polaron formation and migration. We show that small hole polaron formation depends on features in the electronic structure near the valence-band maximum and that, calculationally, these features depend on the methodology chosen for dealing with the correlated nature of the transition-metal d-derived states in these systems. Comparison with experiment reveals that a hybrid functional approach is superior to GGA+U in correctly reproducing the XPS spectra. Using this approach we find that LiNiPO4 cannot support small hole polarons, but that the other three compounds can. The migration barrier is determined mainly by the strong or weak bonding nature of the states at the top of the valence band, resulting in a substantially higher barrier for LiMnPO4 than for LiCoPO4 or LiFePO4

Unexpected benefits of pre-university skills training for A-level students

First-year undergraduates can find the transition from the prescriptive learning environment at school to one of self-directed learning at university, a considerable challenge. A Pre-university Skills Course (PSC) was developed to address this issue by preparing sixth formers for the university learning style. It was piloted with students in the year prior to A-level examinations at a selective state-funded school in East Anglia. The present paper examines the effect of the course on the students’ A-level tariff. Chi-squared analysis of A-level grades of students with comparable GCSE results, indicate that students who undertook the PSC performed significantly better in their A-level results than those who did not. These data demonstrate how skills training might improve A-level performance and assist in the transition to university

Reverberation Mapping Results from MDM Observatory

We present results from a multi-month reverberation mapping campaign undertaken primarily at MDM Observatory with supporting observations from around the world. We measure broad line region (BLR) radii and black hole masses for six objects. A velocity-resolved analysis of the H_beta response shows the presence of diverse kinematic signatures in the BLR.Comment: To appear in the Proceedings of the IAU Symposium No. 267: Co-Evolution of Central Black Holes and Galaxies, Rio de Janeiro, 200

The Nuclear Reddening Curve for Active Galactic Nuclei and the Shape of the Infra-Red to X-Ray Spectral Energy Distribution

We present extinction curves derived from the broad emission lines and continua of large samples of both radio-loud and radio-quiet AGNs. The curves are significantly flatter in the UV than are curves for the local ISM. The reddening curves for the radio-quiet LBQS quasars are slightly steeper than those of the radio-loud quasars in the UV, probably because of additional reddening by dust further out in the host galaxies of the former. The UV extinction curves for the radio-loud AGNs are very flat. This is explicable with slight modifications to standard MRN dust models: there is a relative lack of small grains in the nuclear dust. Our continuum and broad-emission line reddening curves agree in both shape and amplitude, confirming that the continuum shape is indeed profoundly affected by reddening for all but the bluest AGNs. With correction by our generic extinction curve, all of the radio-loud AGNs have continuous optical-UV spectra consistent with a single shape. We show that radio-quiet AGNs have very similar intrinsic UV to optical shape over orders of magnitude in luminosity. We also argue that radio-loud and radio-quiet AGNs probably share the same underlying continuum shape and that most of the systematic differences between their observed continuum shapes are due to higher nuclear reddening in radio-selected AGNs, and additional reddening from dust further out in the host galaxies in radio-quiet AGNs. Our conclusions have important implications for the modelling of quasar continua and the analysis of quasar demographics.Comment: 41 pages, including 6 figures and 3 tables. To appear in ApJ vol. 614, October 20 issue. Some slight wording changes. Some additional references added. Small changes in the model fit in section 6.2, to the analytical fit in the Appendix, and to the tabulated reddening curve in the Appendi

Path integral Monte Carlo simulation of charged particles in traps

This chapter is devoted to the computation of equilibrium (thermodynamic) properties of quantum systems. In particular, we will be interested in the situation where the interaction between particles is so strong that it cannot be treated as a small perturbation. For weakly coupled systems many efficient theoretical and computational techniques do exist. However, for strongly interacting systems such as nonideal gases or plasmas, strongly correlated electrons and so on, perturbation methods fail and alternative approaches are needed. Among them, an extremely successful one is the Monte Carlo (MC) method which we are going to consider in this chapter.Comment: 18 pages, based on talks on Hareaus school on computational methods, Greifswald, September 200

Attitude Control and Stabilization of Spacecraft with a Captured Asteroid

National Aeronautics and Space Administration's Asteroid Redirect Mission (ARM) aims to capture a Near Earth Orbit (NEO) asteroid or a piece of a large asteroid and transport it to the Earth{Moon system. In this paper, we provide a detailed analysis of one of the main control challenges for the first ARM mission concept, namely despinning and three-axis stabilizing the asteroid and spacecraft combination after the ARM spacecraft captures the tumbling NEO asteroid. We first show that control laws, which explicitly use the dynamics of the system in their control law equation, encounter a fundamental limitation due to modeling uncertainties. We show that in the presence of large modeling uncertainties, the resultant disturbance torque for such control laws may well exceed the maximum control torque of the conceptual ARM spacecraft. We then numerically compare the performance of three viable control laws: the robust nonlinear tracking control law, the adaptive nonlinear tracking control law, and the simple derivative plus proportional-derivative linear control strategy. We conclude that under very small mod- eling uncertainties, which can be achieved using online system identification, the robust nonlinear tracking control law guarantees exponential convergence to the fuel-optimal reference trajectory and hence consumes the least fuel. On the other hand, in the presence of large modeling uncertainties, measurement errors, and actuator saturations, the best strategy for stabilizing the asteroid and spacecraft combination is to first despin the system using a derivative (rate damping) linear control law and then stabilize the system in the desired orientation using the simple proportional-derivative linear control law. More-over, the fuel consumed by the conceptual ARM spacecraft using these control strategies is upper bounded by 300 kg for the nominal range of NEO asteroid parameters. We conclude this paper with specific design guidelines for the ARM spacecraft for efficiently stabilizing the tumbling NEO asteroid and spacecraft combination

Pressure induced structural and dynamical changes in liquid Si. An ab-initio study

The static and dynamic properties of liquid Si at high-pressure have been studied using the orbital free ab-initio molecular dynamics method. Four thermodynamic states at pressures 4, 8, 14 and 23 GPa are considered. The calculated static structure shows qualitative agreement with the available experimental data. We analize the remarkable structural changes occurring between 8 and 14 GPa along with its effect on several dynamic properties.Comment: 10 pages, 11 figures. Accepted for publication in Journal of Physics: Condensed Matte

Collective dynamics of liquid aluminum probed by Inelastic X-ray Scattering

An inelastic X-ray scattering experiment has been performed in liquid aluminum with the purpose of studying the collective excitations at wavevectors below the first sharp diffraction peak. The high instrumental resolution (up to 1.5 meV) allows an accurate investigation of the dynamical processes in this liquid metal on the basis of a generalized hydrodynamics framework. The outcoming results confirm the presence of a viscosity relaxation scenario ruled by a two timescale mechanism, as recently found in liquid lithium.Comment: 8 pages, 7 figure

"How do pilates trained physiotherapists utilize and value pilates exercise for MSK conditions? A qualitative study"

Background Pilates is a popular exercise therapy approach offering numerous benefits, including muscular strength, flexibility, control, and core stability. Pilates has been widely utilized in the prevention and rehabilitation of a variety of musculoskeletal disorders. Objectives The aim of this study was to explore the experiences and opinions of Pilates trained NHS and private practice physiotherapists in the UK, regarding the perceived benefits, risks, delivery and rationale for this exercise method. Methods This qualitative study used a self‐designed electronic survey to retrieve the views of 30 physiotherapists, who had undertaken formal Pilates Instruction training, recruited by a purposive and snowball sampling method. Questions were either multiple choice or open‐ended, examined via thematic analysis. Results Physiotherapists identified the most important benefits of Pilates as reduction in fear‐avoidance, improving bodily awareness and increasing muscular strength. Exercises that promote general movement were highlighted as being particularly useful, with a majority recommending daily practice for optimum benefit. Participants recognized lack of core strength as a key indicator, whereas others criticized excessive focus on this principle. Conclusions Physiotherapists identified a range of inter‐linked benefits and recognized that Pilates is hugely modifiable. Individualizing exercises can further encourage participation and negate the restriction of some health conditions. NHS and Private Practice Therapists utilize Pilates in a similar way, although rationales for its use may differ, as the justification for Pilates exercise may be evolving. Pilates appears a valuable methodology in the NHS, which can help patients engage with activity

Isolation and characterization of homokaryotic strains from the ligninolytic basidiomycete Ceriporiopsis subvermispora

Indexación: Scopus.Genetic analyses of the lignin-degrading fungus Ceriporiopsis subvermispora is complicated by a dikaryotic nuclear condition and the absence of spore forms. Previous investigations had identified a family of closely related sequences encoding manganese peroxidase (MnP), but the relationship between genes and allelic variants could not be experimentally established. Addressing this issue, homokaryotic derivatives of C. subvermipora strain FP105752 were isolated from regenerated protoplasts. Designated CsA and CsB, their homokaryotic nature was established by polymerase chain reaction amplification and sequence analysis of the allelic variants of three MnP genes. Isoelectrofocusing revealed fewer MnP isoenzymes in filtrates of homokaryon cultures relative to the parental strain. The homokaryotic strains will simplify genetic analyses, particularly the identification of new genes.https://academic-oup-com.recursosbiblioteca.unab.cl/femsle/article/199/1/91/55387