Consistent Anisotropic Repulsions for Simple Molecules

We extract atom-atom potentials from the effective spherical potentials that suc cessfully model Hugoniot experiments on molecular fluids, e.g., $O_2$ and $N_2$. In the case of $O_2$ the resulting potentials compare very well with the atom-atom potentials used in studies of solid-state propertie s, while for $N_2$ they are considerably softer at short distances. Ground state (T=0K) and room temperatu re calculations performed with the new $N-N$ potential resolve the previous discrepancy between experimental and theoretical results.Comment: RevTeX, 5 figure

Coupled-mode equations and gap solitons in a two-dimensional nonlinear elliptic problem with a separable periodic potential

We address a two-dimensional nonlinear elliptic problem with a finite-amplitude periodic potential. For a class of separable symmetric potentials, we study the bifurcation of the first band gap in the spectrum of the linear Schr\"{o}dinger operator and the relevant coupled-mode equations to describe this bifurcation. The coupled-mode equations are derived by the rigorous analysis based on the Fourier--Bloch decomposition and the Implicit Function Theorem in the space of bounded continuous functions vanishing at infinity. Persistence of reversible localized solutions, called gap solitons, beyond the coupled-mode equations is proved under a non-degeneracy assumption on the kernel of the linearization operator. Various branches of reversible localized solutions are classified numerically in the framework of the coupled-mode equations and convergence of the approximation error is verified. Error estimates on the time-dependent solutions of the Gross--Pitaevskii equation and the coupled-mode equations are obtained for a finite-time interval.Comment: 32 pages, 16 figure

Spectrally tunable chiral Bragg reflectors for on-demand beam generation

We demonstrate the generation of spectrally tunable phase-dependent wavefronts, using the 2D Airy as the primary test case, via a polymer-stabilized cholesteric liquid crystal (PSCLC) element. Specifically, we use a novel spatial light modulator (SLM) based projection system to photo-align the initial helix angle landscape of the PSCLC so that it imparts the appropriate cubic phase profile to the reflected beam. This element is spectrally selective, with a reflection bandwidth of &asymp; 100 nm, and electrically tunable from &lambda; = 530 nm to 760 nm. Under both green and red laser illumination, the element is shown to conditionally form an Airy beam depending on the position of the electrically tailored reflection band. We briefly demonstrate the generality of this approach by producing PSCLC elements which form a computer-generated hologram and a higher-order Mathieu beam.</p

Full-scale modal testing of a Hawk T1A aircraft for benchmarking vibration-based methods

Research developments for structural dynamics in the fields of design, system identification and structural health monitoring (SHM) have dramatically expanded the bounds of what can be learned from measured vibration data. However, significant challenges remain in the tasks of identification, prediction and evaluation of full-scale structures. A significant aid in the roadmap to the application of cutting-edge methods to the demands of in-service engineering structures, is the development of comprehensive benchmark datasets. With the aim of developing a useful and worthwhile benchmark dataset for structural dynamics, an extensive testing campaign is presented here. This recent campaign was performed on a decommissioned BAE system Hawk T1A aircraft at the Laboratory for Verification and Validation (LVV) in Sheffield. The aim of this paper is to present the dataset, providing details on the structure, experimental design, and data acquired. The collected data is made freely and openly available with the intention that it serve as a benchmark dataset for challenges in full-scale structural dynamics. Here, the details pertaining to two test phases (frequency and time domain) are presented. So as to ensure that the presented dataset is able to function as a benchmark, some baseline-level results are additionally presented for the tasks of identification and prediction, using standard approaches. It is envisaged that advanced methodologies will demonstrate superiority by favourable comparison with the results presented here. Finally, some dataset-specific challenges are described, with a view to form a hierarchy of tasks and frame discussion over their relative difficulty

Synthesizing greenhouse gas fluxes across nine European peatlands and shrublands: responses to climatic and environmental changes

In this study, we compare annual fluxes of methane (CH4), nitrous oxide (N2O) and soil respiratory carbon dioxide (CO2) measured at nine European peatlands (n = 4) and shrublands (n = 5). The sites range from northern Sweden to Spain, covering a span in mean annual air temperature from 0 to 16 �C, and in annual precipitation from 300 to 1300mmyr−1. The effects of climate change, including temperature increase and prolonged drought, were tested at five shrubland sites. At one peatland site, the long-term (>30 yr) effect of drainage was assessed, while increased nitrogen deposition was investigated at three peatland sites. The shrublands were generally sinks for atmospheric CH4, whereas the peatlands were CH4 sources, with fluxes ranging from −519 to +6890 mgCH4-Cm−2 yr−1 across the studied ecosystems. At the peatland sites, annual CH4 emission increased with mean annual air temperature, while a negative relationship was found between net CH4 uptake and the soil carbon stock at the shrubland sites. Annual N2O fluxes were generally small ranging from −14 to 42 mgN2O-Nm−2 yr−1. Highest N2O emission occurred at the sites that had highest nitrate (NO− 3 ) concentration in the soil water. Furthermore, experimentally increased NO− 3 deposition led to increased N2O efflux, whereas prolonged drought and long-term drainage reduced the N2O efflux. Soil CO2 emissions in control plots ranged from 310 to 732 gCO2-Cm−2 yr−1. Drought and long-term drainage generally reduced the soil CO2 efflux, except at a hydric shrubland where drought tended to increase soil respiration. In terms of fractional importance of each greenhouse gas to the total numerical global warming response, the change in CO2 efflux dominated the response in all treatments (ranging 71–96 %), except for NO− 3 addition where 89% was due to change in CH4 emissions. Thus, in European peatlands and shrublands the effect on global warming induced by the investigated anthropogenic disturbances will be dominated by variations in soil CO2 fluxes

Molecular velocity auto-correlation of simple liquids observed by NMR MGSE method

The velocity auto-correlation spectra of simple liquids obtained by the NMR method of modulated gradient spin echo show features in the low frequency range up to a few kHz, which can be explained reasonably well by a $t^{-3/2}$ long time tail decay only for non-polar liquid toluene, while the spectra of polar liquids, such as ethanol, water and glycerol, are more congruent with the model of diffusion of particles temporarily trapped in potential wells created by their neighbors. As the method provides the spectrum averaged over ensemble of particle trajectories, the initial non-exponential decay of spin echoes is attributed to a spatial heterogeneity of molecular motion in a bulk of liquid, reflected in distribution of the echo decays for short trajectories. While at longer time intervals, and thus with longer trajectories, heterogeneity is averaged out, giving rise to a spectrum which is explained as a combination of molecular self-diffusion and eddy diffusion within the vortexes of hydrodynamic fluctuations.Comment: 8 pages, 6 figur

Self-determined motivation in sport predicts anti-doping motivation and intention: A perspective from the trans-contextual model

Objectives: Motivation in sport has been frequently identified as a key factor of young athletes’ intention of doping in sport, but there has not been any attempt in scrutinizing the motivational mechanism involved. The present study applied the trans-contextual model of motivation to explain the relationship between motivation in a sport context and motivation and the social-cognitive factors (attitude, subjective norm, perceived behavioral control, and intention) from the theory of planned behavior (TPB) in an anti-doping context. Design: A cross-sectional survey was conducted. Methods: Questionnaire data was collected from 410 elite and sub-elite young athletes in Australia (Mean age [17.7 ± 3.9 yr], 55.4% male, Years in sport [9.1 ± 3.2]). We measured the key model variables of study in relation to sport motivation (Behavioral Regulation in Sport Questionnaire), and the motivation (adapted version of the Treatment Self-Regulation Questionnaire) and social cognitive patterns (the theory of planned behavior questionnaire) of doping avoidance. The data was analyzed by variance-based structural equation modeling with bootstrapping of 999 replications. Results: The goodness-of-fit of the hypothesized model was acceptable. The bootstrapped parameter estimates revealed that autonomous motivation and amotivation in sport were positively associated with the corresponding types of motivation for the avoidance of doping. Autonomous motivation, subjective norm, and perceived behavioral control in doping avoidance fully mediated the relationship between autonomous motivation in sport and intention for doping avoidance. Conclusions: The findings support the tenets of the trans-contextual model, and explain how motivation in sport is related to athletes’ motivation and intention with respect to anti-doping behaviors

Best Practices for Virtual Care: A Consensus Statement From the Canadian Rheumatology Association

Objective. To develop best practice statements for the provision of virtual care in adult and pediatric rheumatology for the Canadian Rheumatology Association\u27s (CRA) Telehealth Working Group (TWG). Methods. Four members of the TWG representing adult, pediatric, university-based, and community rheumatology practices defined the scope of the project. A rapid literature review of existing systematic reviews, policy documents, and published literature and abstracts on the topic was conducted between April and May 2021. The review informed a candidate set of 7 statements and a supporting document. The statements were submitted to a 3-round (R) modified Delphi process with 22 panelists recruited through the CRA and patient advocacy organizations. Panelists rated the importance and feasibility of the statements on a Likert scale of 1-9. Statements with final median ratings between 7-9 with no disagreement were retained in the final set. Results. Twenty-one (95%) panelists participated in R1, 15 (71%) in R2, and 18 (82%) in R3. All but 1 statement met inclusion criteria during R1. Revisions were made to 5/7 statements following R2 and an additional statement was added. All statements met inclusion criteria following R3. The statements addressed the following themes in the provision of virtual care: adherence to existing standards and regulations, appropriateness, consent, physical examination, patient-reported outcomes, use in addition to in-person visits, and complex comanagement of disease. Conclusion. The best practice statements represent a starting point for advancing virtual care in rheumatology. Future educational efforts to help implement these best practices and research to address identified knowledge gaps are planned

Reading Ronaldo: contingent whiteness in the football media

Ever since his introduction to the first-­-team at Manchester United FC, Cristiano Ronaldo Dos Santos Aveiro has been recognised as one of the footballing world’s most stand-­-out football players. In turn, Ronaldo has drawn the attention of scholars working across a number of disciplines. While sports economists and sociologists of sport, amongst others, have contributed to a growing literature about Ronaldo and the social implications of his on and off-­-field behaviour, few critical analyses have considered the racialised aspects of Ronaldo’s representations, or how audiences make sense of his racialised or ethnic identity. Using images of Ronaldo, which we presented to and discussed with self-­-identified physically active white British men, we explore what it is representations and audience interpretations of Ronaldo reveal about the complexities of white male identity formation. We do this to understand better how white male identities can be read and interpreted through and in the context of football. Facilitated by our conception of contingent whiteness, we argue that white British men’s interpretations of Ronaldo’s whiteness are inextricably linked to discourses of ‘race’, masculinities and football

An Integrated TCGA Pan-Cancer Clinical Data Resource to Drive High-Quality Survival Outcome Analytics

For a decade, The Cancer Genome Atlas (TCGA) program collected clinicopathologic annotation data along with multi-platform molecular profiles of more than 11,000 human tumors across 33 different cancer types. TCGA clinical data contain key features representing the democratized nature of the data collection process. To ensure proper use of this large clinical dataset associated with genomic features, we developed a standardized dataset named the TCGA Pan-Cancer Clinical Data Resource (TCGA-CDR), which includes four major clinical outcome endpoints. In addition to detailing major challenges and statistical limitations encountered during the effort of integrating the acquired clinical data, we present a summary that includes endpoint usage recommendations for each cancer type. These TCGA-CDR findings appear to be consistent with cancer genomics studies independent of the TCGA effort and provide opportunities for investigating cancer biology using clinical correlates at an unprecedented scale. Analysis of clinicopathologic annotations for over 11,000 cancer patients in the TCGA program leads to the generation of TCGA Clinical Data Resource, which provides recommendations of clinical outcome endpoint usage for 33 cancer types