27,765 research outputs found

    Giant electrocaloric effect around Tc_c

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    We use molecular dynamics with a first-principles-based shell model potential to study the electrocaloric effect (ECE) in lithium niobate, LiNbO3_3, and find a giant electrocaloric effect along a line passing through the ferroelectric transition. With applied electric field, a line of maximum ECE passes through the zero field ferroelectric transition, continuing along a Widom line at high temperatures with increasing field, and along the instability that leads to homogeneous ferroelectric switching below TcT_c with an applied field antiparallel to the spontaneous polarization. This line is defined as the minimum in the inverse capacitance under applied electric field. We investigate the effects of pressure, temperature and applied electric field on the ECE. The behavior we observe in LiNbO3_3 should generally apply to ferroelectrics; we therefore suggest that the operating temperature for refrigeration and energy scavenging applications should be above the ferroelectric transition region to obtain large electrocaloric response. We find a relationship among TcT_c, the Widom line and homogeneous switching that should be universal among ferroelectrics, relaxors, multiferroics, and the same behavior should be found under applied magnetic fields in ferromagnets.Comment: 5 page

    Electronic properties of Fabre charge-transfer salts under various temperature and pressure conditions

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    Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published crystal structures, we experimentally determine two new sets of structures; (TMTTF)2_2SbF6_6 at different temperatures and (TMTTF)2_2PF6_6 at various pressures. We find that a few trends in the electronic behavior can be connected to the complex phase diagram shown by these materials. Decreasing temperature and increasing pressure cause the systems to become more two-dimensional. We analyze the importance of correlations by considering an extended Hubbard model parameterized using Wannier orbital overlaps and show that while charge order is strongly activated by the inter-site Coulomb interaction, the magnetic order is only weakly enhanced. Both orders are suppressed when the effective pressure is increased.Comment: 12 pages, 16 figure

    The diffuse X-ray background spectrum from 3 to 50keV

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    The spectrum of the extragalactic diffuse X-ray background was measured with the GSFC cosmic X-ray experiment on HEAO-1 for regions of the sky away from known point sources and more than 20 deg from the galactic plane. A total exposure of 80 sq m-sec-sr is available at present. Free-free emission from an optically thin plasma of 40 plus or minus 5 keV provides an excellent description of the observed spectrum from 3 to 50 keV. This spectral shape is confirmed by measurements from 5 separate layers of three independent detectors. With an estimated absolute precision of about 10 percent, the intensity of the emission at 10 keV is 3.2 keV/keV-sq cm-sec-sr, a value consistent with the average of previously reported spectra. No other spectral features, such as iron line emission, are evident. This spectrum is not typical of known extragalactic objects. A uniform hot intergalactic medium of approximately 36 percent of the closure density of the universe would produce such a flux, although non-uniform models indicating less total matter are probably more realistic

    Atmospheric nitrogen deposition in terrestrial ecosystems:Its impact on plant communities and consequences across trophic levels

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    The global nitrogen cycle has been greatly perturbed by human activities resulting in elevated nitrogen deposition in many parts of the world. The threat nitrogen deposition poses to ecosystem function and biodiversity is increasingly recognised. In terrestrial systems, impacts on the plant community are mainly through eutrophication and soil acidification. Interactions with secondary environmental drivers such as extreme weather and disease are also key mechanisms. Impacts on consumers can be caused by changes in the quality or quantity of food as a result of changes in food plant chemistry or species composition, changes in vegetation structure leading to a change in the availability of prey species, nesting sites or cooled microclimates or changes in the phenology of plants leading to causing phenological asynchrony. Primary consumers have received considerably less research attention than plants but negative impacts have been observed for both folivorous insects and pollinators. Mammal herbivores have received little research attention. New analysis of changes in plant traits along a gradient of nitrogen deposition in the UK shows that plants pollinated by large bees were negatively associated with N deposition whilst low pH was associated with lower nectar production, reduced occurrence of plants pollinated by long-tongued insects and a reduction in plants with larger floral units. Very few studies have investigated the effects on secondary consumers, but those that have suggest that there are likely to be negative impacts. This review identifies considerable knowledge gaps in the impacts of N deposition on higher tropic levels and highlights that for many groups, knowledge of N deposition impacts is patchy at best. Evidence that has been collected suggests that there are likely to be impacts on primary and secondary consumers making this a priority area for investigation

    Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculations

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    Numerical projection methods are elaborated for the calculation of eigenstates of the non-relativistic many-particle Coulomb Hamiltonian with selected rotational and parity quantum numbers employing shifted explicitly correlated Gaussian functions, which are, in general, not eigenfunctions of the total angular momentum and parity operators. The increased computational cost of numerically projecting the basis functions onto the irreducible representations of the three dimensional rotation-inversion group is the price to pay for the increased flexibility of the basis functions. This increased flexibility allowed us to achieve a substantial improvement for the variational upper bound to the Pauli-allowed ground-state energy of the H3+={_3^+=\{p+,^+,p+,^+,p+,^+,e−,^-,e−}^-\} molecular ion treated as an explicit five-particle system. We compare our pre-Born-Oppenheimer result for this molecular ion with rovibrational results including non-adiabatic corrections.Comment: 29 pages, 3 figures, 4 table

    Teleological Essentialism

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    Placeholder essentialism is the view that there is a causal essence that holds category members together, though we may not know what the essence is. Sometimes the placeholder can be filled in by scientific essences, such as when we acquire scientific knowledge that the atomic weight of gold is 79. We challenge the view that placeholders are elaborated by scientific essences. On our view, if placeholders are elaborated, they are elaborated Aristotelian essences, a telos. Utilizing the same kinds of experiments used by traditional essentialists—involving superficial change (study 1), transformation of insides (study 2), acquired traits (study 3) and inferences about offspring (study 4)—we find support for the view that essences are elaborated by a telos. And we find evidence (study 5) that teleological essences may generate category judgments
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