722 research outputs found

    Octahedral Tilt Instability of ReO_3-type Crystals

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    The octahedron tilt transitions of ABX_3 perovskite-structure materials lead to an anti-polar (or antiferroelectric) arrangement of dipoles, with the low temperature structure having six sublattices polarized along various crystallographic directions. It is shown that an important mechanism driving the transition is long range dipole-dipole forces acting on both displacive and induced parts of the anion dipole. This acts in concert with short range repulsion, allowing a gain of electrostatic (Madelung) energy, both dipole-dipole and charge-charge, because the unit cell shrinks when the hard ionic spheres of the rigid octahedron tilt out of linear alignment.Comment: 4 page with 3 figures included; new version updates references and clarifies the argument

    Dopant Spatial Distributions: Sample Independent Response Function And Maximum Entropy Reconstruction

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    We demonstrate the use of maximum entropy based deconvolution to reconstruct boron spatial distribution from the secondary ion mass spectrometry (SIMS) depth profiles on a system of variously spaced boron δ\delta-layers grown in silicon. Sample independent response functions are obtained using a new method which reduces the danger of incorporating real sample behaviour in the response. Although the original profiles of different primary ion energies appear quite differently, the reconstructed distributions agree well with each other. The depth resolution in the reconstructed data is increased significantly and segregation of boron at the near surface side of the δ\delta-layers is clearly shown.Comment: 5 two-columne pages, 3 postscript figures, to appear in Phys. Rev. B1

    catena-Poly[cobalt(II)-di-μ-chlorido-κ4 Cl:Cl-μ-1,5-dimethyl-1H-tetra­zole-κ2 N 3:N 4]: an X-ray powder investigation

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    The asymmetric unit of the title compound, [CoCl2(C3H6N4)]n, contains two Co atoms, both lying on inversion centres, two Cl atoms and one 1,5-dimethyl­tetra­zole ligand. The coordination polyhedra of both Co atoms adopt flattened octa­hedral geometry, with two N atoms from two ligands in axial positions and four Cl atoms in equatorial sites. Neighbouring Co atoms are linked together via two bridging Cl atoms and one tetra­zole ring to form polymeric chains running along the a axis

    Numerical Confirmation of Late-time t^{1/2} Growth in Three-dimensional Phase Ordering

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    Results for the late-time regime of phase ordering in three dimensions are reported, based on numerical integration of the time-dependent Ginzburg-Landau equation with nonconserved order parameter at zero temperature. For very large systems (7003700^3) at late times, t≥150,t \ge 150, the characteristic length grows as a power law, R(t)∼tnR(t) \sim t^n, with the measured nn in agreement with the theoretically expected result n=1/2n=1/2 to within statistical errors. In this time regime R(t)R(t) is found to be in excellent agreement with the analytical result of Ohta, Jasnow, and Kawasaki [Phys. Rev. Lett. {\bf 49}, 1223 (1982)]. At early times, good agreement is found between the simulations and the linearized theory with corrections due to the lattice anisotropy.Comment: Substantially revised and enlarged, submitted to PR

    The Entropy of the Gravitational Field

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    We derive a formula for the nonequilibrium entropy of a classical stochastic field in terms of correlation functions of this field. The formalism is then applied to define the entropy of gravitational perturbations (both gravitational waves and density fluctuations). We calculate this entropy in a specific cosmological model (the inflationary Universe) and find that on scales of interest in cosmology the entropy in both density perturbations and gravitational waves exceeds the entropy of statistical fluctuations of the microwave background. The nonequilibrium entropy discussed here is a measure of loss of information about the system. We discuss the origin of the entropy in our cosmological models and compare the definition of entropy in terms of correlation functions with the microcanonical definition in quantum statistical mechanics.Comment: 40 pages, uses REVTE

    Cellular allometry of mitochondrial functionality establishes the optimal cell size

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    Eukaryotic cells attempt to maintain an optimal size, resulting in size homeostasis. While cellular content scales isometrically with cell size, allometric laws indicate that metabolism per mass unit should decline with increasing size. Here we use elutriation and single-cell flow cytometry to analyze mitochondrial scaling with cell size. While mitochondrial content increases linearly, mitochondrial membrane potential and oxidative phosphorylation are highest at intermediate cell sizes. Thus, mitochondrial content and functional scaling are uncoupled. The nonlinearity of mitochondrial functionality is cell size, not cell cycle, dependent, and it results in an optimal cell size whereby cellular fitness and proliferative capacity are maximized. While optimal cell size is controlled by growth factor signaling, its establishment and maintenance requires mitochondrial dynamics, which can be controlled by the mevalonate pathway. Thus, optimization of cellular fitness and functionality through mitochondria can explain the requirement for size control, as well as provide means for its maintenance

    Post-Traumatic Epilepsy Associations with Mental Health Outcomes in the First Two Years after Moderate to Severe TBI: A TBI Model Systems Analysis

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    Purpose Research suggests that there are reciprocal relationships between mental health (MH) disorders and epilepsy risk. However, MH relationships to post-traumatic epilepsy (PTE) have not been explored. Thus, the objective of this study was to assess associations between PTE and frequency of depression and/or anxiety in a cohort of individuals with moderate-to-severe TBI who received acute inpatient rehabilitation. Methods Multivariate regression models were developed using a recent (2010–2012) cohort (n = 867 unique participants) from the TBI Model Systems (TBIMS) National Database, a time frame during which self-reported seizures, depression [Patient Health Questionnaire (PHQ)-9], and anxiety [Generalized Anxiety Disorder (GAD-7)] follow-up measures were concurrently collected at year-1 and year-2 after injury. Results PTE did not significantly contribute to depression status in either the year-1 or year-2 cohort, nor did it contribute significantly to anxiety status in the year-1 cohort, after controlling for other known depression and anxiety predictors. However, those with PTE in year-2 had 3.34 times the odds (p = .002) of having clinically significant anxiety, even after accounting for other relevant predictors. In this model, participants who self-identified as Black were also more likely to report clinical symptoms of anxiety than those who identified as White. PTE was the only significant predictor of comorbid depression and anxiety at year-2 (Odds Ratio 2.71; p = 0.049). Conclusions Our data suggest that PTE is associated with MH outcomes 2 years after TBI, findings whose significance may reflect reciprocal, biological, psychological, and/or experiential factors contributing to and resulting from both PTE and MH status post-TBI. Future work should consider temporal and reciprocal relationships between PTE and MH as well as if/how treatment of each condition influences biosusceptibility to the other condition
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