597 research outputs found

    Elastic effects of vacancies in strontium titanate: Short- and long-range strain fields, elastic dipole tensors, and chemical strain

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    We present a study of the local strain effects associated with vacancy defects in strontium titanate and report the first calculations of elastic dipole tensors and chemical strains for point defects in perovskites. The combination of local and long-range results will enable determination of x-ray scattering signatures that can be compared with experiments. We find that the oxygen vacancy possesses a special property -- a highly anisotropic elastic dipole tensor which almost vanishes upon averaging over all possible defect orientations. Moreover, through direct comparison with experimental measurements of chemical strain, we place constraints on the possible defects present in oxygen-poor strontium titanate and introduce a conjecture regarding the nature of the predominant defect in strontium-poor stoichiometries in samples grown via pulsed laser deposition. Finally, during the review process, we learned of recent experimental data, from strontium titanate films deposited via molecular-beam epitaxy, that show good agreement with our calculated value of the chemical strain associated with strontium vacancies.Comment: 14 pages, 11 figures, 4 table

    The Evolution of Family Level Sales Forecasts into Product Level Forecasts

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    The Evolution of Family Level Sales Forecasts into Product Level Forecast

    Joint density-functional theory for electronic structure of solvated systems

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    We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of a solute with a classical density-functional theory for the liquid into a single variational principle for the free energy of the combined system. A simple approximate functional predicts, without any fitting of parameters to solvation data, solvation energies as well as state-of-the-art quantum-chemical cavity approaches, which require such fitting.Comment: Fixed typos and minor updates to tex

    A micro electromagnetic generator for vibration energy harvesting

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    Vibration energy harvesting is receiving a considerable amount of interest as a means for powering wireless sensor nodes. This paper presents a small (component volume 0.1 cm3, practical volume 0.15 cm3) electromagnetic generator utilizing discrete components and optimized for a low ambient vibration level based upon real application data. The generator uses four magnets arranged on an etched cantilever with a wound coil located within the moving magnetic field. Magnet size and coil properties were optimized, with the final device producing 46 µW in a resistive load of 4 k? from just 0.59 m s-2 acceleration levels at its resonant frequency of 52 Hz. A voltage of 428 mVrms was obtained from the generator with a 2300 turn coil which has proved sufficient for subsequent rectification and voltage step-up circuitry. The generator delivers 30% of the power supplied from the environment to useful electrical power in the load. This generator compares very favourably with other demonstrated examples in the literature, both in terms of normalized power density and efficiency

    Strong damping of phononic heat current by magnetic excitations in SrCu_2(BO_3)_2

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    Measurements of the thermal conductivity as a function of temperature and magnetic field in the 2D dimer spin system SrCu2_2(BO3_3)2_2 are presented. In zero magnetic field the thermal conductivity along and perpendicular to the magnetic planes shows a pronounced double-peak structure as a function of temperature. The low-temperature maximum is drastically suppressed with increasing magnetic field. Our quantitative analysis reveals that the heat current is due to phonons and that the double-peak structure arises from pronounced resonant scattering of phonons by magnetic excitations.Comment: a bit more than 4 pages, 2 figures included; minor changes to improve the clarity of the presentatio

    The Influence of Dopamine on Brain Function in Healthy Older Adults

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    Dopamine plays a crucial role in reward processing, motor control, and cognitive functions. Levels of dopamine can vary based on sex and age. Men have higher dopamine release in the ventral striatum compared to women, potentially having effect on reward, though further research is needed to understand these differences. Dopamine levels have been shown to naturally decline with age. Reductions can be seen in both dopamine synthesis and receptor availability. This may impact motivation, movement, and cognitive flexibility. Estrogen also has been shown to influence dopamine synthesis, receptor availability, and degradation. During menopause, estrogen levels sharply decline, a dopamine connection may contribute to cognitive and emotional symptoms reported during the menopause transition. This study examined the relationship between dopamine levels, sex, and aging using T2* maps. T2* maps are a measure inversely related to iron deposition, used as a proxy measure for dopamine. Iron is colocalized with dopamine in the brain. Unexpectedly, no significant relationship was found between T2* and age or sex. This suggested that individual variability such as genetic factors and lifestyle influences may contribute to dopamine regulation. Limitations in this work influenced findings, such as averaging the entire brain for T2* values rather than region-specific analyses. Further research should include region specific analyses and estrogen level measurements to better understand how dopamine relates to aging and sex

    First-Principles Calculation of the Superconducting Transition in MgB2 within the Anisotropic Eliashberg Formalism

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    We present a study of the superconducting transition in MgB2 using the ab-initio pseudopotential density functional method and the fully anisotropic Eliashberg equation. Our study shows that the anisotropic Eliashberg equation, constructed with ab-initio calculated momentum-dependent electron-phonon interaction and anharmonic phonon frequencies, yields an average electron-phonon coupling constant lambda = 0.61, a transition temperature Tc = 39 K, and a boron isotope-effect exponent alphaB = 0.31 with a reasonable assumption of mu* = 0.12. The calculated values for Tc, lambda, and alphaB are in excellent agreement with transport, specific heat, and isotope effect measurements respectively. The individual values of the electron-phonon coupling lambda(k,k') on the various pieces of the Fermi surface however vary from 0.1 to 2.5. The observed Tc is a result of both the raising effect of anisotropy in the electron-phonon couplings and the lowering effect of anharmonicity in the relevant phonon modes.Comment: 4 pages, 3 figures, 1 tabl
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