146 research outputs found

    Superconductivity and Lattice Instability in Compressed Lithium from Fermi Surface Hot Spots

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    The highest superconducting temperature Tc_c observed in any elemental metal (Li with Tc_c ~ 20 K at pressure P ~ 40 GPa) is shown to arise from critical (formally divergent) electron-phonon coupling to the transverse T1_1 phonon branch along intersections of Kohn anomaly surfaces with the Fermi surface. First principles linear response calculations of the phonon spectrum and spectral function α2F(ω)\alpha^2 F(\omega) reveal (harmonic) instability already at 25 GPa. Our results imply that the fcc phase is anharmonically stabilized in the 25-38 GPa range.Comment: 4 pages, 3 embedded figure

    Promotion of physical activity in physical therapy practice within North Carolina

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    Physical inactivity has been established as one of the most important issues affecting health-related quality of life. In contrast, participation in regular physical activity has been shown to be one of the most effective interventions to treat and prevent a wide variety of chronic diseases. Although well positioned, physical therapists have been found to ineffectively and inconsistently promote physical activity within patient care. The purpose of this study was to determine the extent of physical activity promotion as well as identify perceived barriers and facilitators affecting physical activity promotion in physical therapy practice within North Carolina. Licensed physical therapists who practice within North Carolina were recruited to complete an online survey assessing areas related to physical activity including knowledge, promotion, role perception, confidence, barriers, feasibility, caseload perception, and personal physical activity participation (n = 1,067). Open-ended questions were also included to further explore physical therapists’ perceived barriers and facilitators affecting physical activity promotion. Data analysis included 13.8% (n = 1067) of physical therapists currently practicing in North Carolina. Results demonstrate that nearly all participants promote some form of physical activity; however, only about one-fourth promote physical activity at the highest extent with their current patients as part of the management plan. Additionally, results suggest the highest promoters were significantly different in every variable with relatively small differences in personal physical activity (d = .48), role perception (d = .32), and knowledge (d = .18) and moderate differences in feasibility (d = .70), confidence (d = .55), caseload perception (d = .54), and perceived barriers (d = .50). Open-ended responses suggest accessibility of resources, patient education, and available time were the highest contributors to facilitating physical activity promotion among the highest promoters. Targeted policy and education addressing extrinsic and intrinsic factors by providing accessible resources, education on patient counseling, and actions to implement physical activity promotion should be initiated

    Anomalous optical and electronic properties of dense sodium

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    Based on ab initio density-functional-theory using generalized gradient approximation, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently [Ma \textit{et al.}, Nature \textbf{458}, 182 (2009)]. The structure is found optically anisotropic and transparent to visible light, which can be well interpreted using its electronic band structure and angular moment decomposed density of states. Through the bader analysis of Na-hp4 at different pressures, we conclude that ionicity exists in the structure and becomes stronger with increasing pressure. In addition, the absorption spectra in the energy range from 1.4 to 2.4 eV are compared with recent experimental results and found good agreement. It is found that the deep-lying valence electrons participate in the interband transition.Comment: 7 pages, 7 figure

    Equation of state and strength of diamond in high pressure ramp loading

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    Diamond is used extensively as a component in high energy density experiments, but existing equation of state (EOS) models do not capture its observed response to dynamic loading. In particular, in contrast with first principles theoretical EOS models, no solid-solid phase changes have been detected, and no general-purpose EOS models match the measured ambient isotherm. We have performed density functional theory (DFT) calculations of the diamond phase to ~10TPa, well beyond its predicted range of thermodynamic stability, and used these results as the basis of a Mie-Greuneisen EOS. We also performed DFT calculations of the elastic moduli, and calibrated an algebraic elasticity model for use in simulations. We then estimated the flow stress of diamond by comparison with the stress-density relation measured experimentally in ramp-loading experiments. The resulting constitutive model allows us to place a constraint on the Taylor-Quinney factor (the fraction of plastic work converted to heat) from the observation that diamond does not melt on ramp compression

    Reviews and syntheses: Iron – a driver of nitrogen bioavailability in soils?

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    An adequate supply of bioavailable nitrogen (N) is critical to soil microbial communities and plants. Over the last decades, research efforts have rarely considered the importance of reactive iron (Fe) minerals in the processes that produce or consume bioavailable N in soils compared to other factors such as soil texture, pH, and organic matter (OM). However, Fe is involved in both enzymatic and non-enzymatic reactions that influence the N cycle. More broadly, reactive Fe minerals restrict soil organic matter (SOM) cycling through sorption processes but also promote SOM decomposition and denitrification in anoxic conditions. By synthesizing available research, we show that Fe plays diverse roles in N bioavailability. Fe affects N bioavailability directly by acting as a sorbent, catalyst, and electron transfer agent or indirectly by promoting certain soil features, such as aggregate formation and stability, which affect N turnover processes. These roles can lead to different outcomes in terms of N bioavailability, depending on environmental conditions such as soil redox shifts during wet–dry cycles. We provide examples of Fe–N interactions and discuss the possible underlying mechanisms, which can be abiotic or microbially meditated. We also discuss how Fe participates in three complex phenomena that influence N bioavailability: priming, the Birch effect, and freeze–thaw cycles. Furthermore, we highlight how Fe–N bioavailability interactions are influenced by global change and identify methodological constraints that hinder the development of a mechanistic understanding of Fe in terms of controlling N bioavailability and highlight the areas of needed research.</p

    Theoretical and experimental investigation of the equation of state of boron plasmas

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    We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1×\times104^4-5.2×\times108^8 K) and densities (0.25-49 g/cm3^3), and experimental shock Hugoniot data at unprecedented high pressures (5608±\pm118 GPa). The calculations are performed with full, first-principles methods combining path integral Monte Carlo (PIMC) at high temperatures and density functional theory molecular dynamics (DFT-MD) methods at lower temperatures. PIMC and DFT-MD cross-validate each other by providing coherent EOS (difference <<1.5 Hartree/boron in energy and <<5% in pressure) at 5.1×\times105^5 K. The Hugoniot measurement is conducted at the National Ignition Facility using a planar shock platform. The pressure-density relation found in our shock experiment is on top of the shock Hugoniot profile predicted with our first-principles EOS and a semi-empirical EOS table (LEOS 50). We investigate the self diffusivity and the effect of thermal and pressure-driven ionization on the EOS and shock compression behavior in high pressure and temperature conditions We study the performance sensitivity of a polar direct-drive exploding pusher platform to pressure variations based on comparison of the first-principles calculations with LEOS 50 via 1D hydrodynamic simulations. The results are valuable for future theoretical and experimental studies and engineering design in high energy density research. (LLNL-JRNL-748227)Comment: 12 pages, 9 figures, 2 table
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