ENDOR study of nitrogen hyperfine and quadrupole tensors in vanadyl porphyrins of heavy crude oil [CL]

http://arxiv.org/abs/1702.06066


We report the observation of pulsed electron-nuclear double resonance (ENDOR) spectrum caused by interactions of the nitrogen nuclei 14N with the unpaired electron of the paramagnetic vanadyl complexes VO2+ of vanadyl porphyrins in natural crude oil. We provide detailed experimental and theoretical characterization of the nitrogen hyperfine and quadrupole tensors.

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I. Gracheva, M. Gafurov, G. Mamin, et. al.
Tue, 21 Feb 17
29/70

Comments: 6 pages, 2 Figures

Accelerating cross-validation with total variation and its application to super-resolution imaging [CL]

http://arxiv.org/abs/1611.07197


We develop an approximation formula for the cross-validation error (CVE) of a sparse linear regression penalized by $\ell_1$-norm and total variation terms, which is based on a perturbative expansion utilizing the largeness of both the data dimensionality and the model. The developed formula allows us to reduce the necessary computational cost of the CVE evaluation significantly. The practicality of the formula is tested through application to simulated black-hole image reconstruction on the event-horizon scale with super resolution. The results demonstrate that our approximation reproduces the CVE values obtained via literally conducted cross-validation with reasonably good precision.

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T. Obuchi, S. Ikeda, K. Akiyama, et. al.
Wed, 23 Nov 16
13/68

Comments: 5 pages, 1 figure

From Wires to Cosmology [CEA]

http://arxiv.org/abs/1512.02637


We provide a statistical framework for characterizing stochastic particle production in the early universe via a precise correspondence to current conduction in wires with impurities. Our approach is particularly useful when the microphysics is uncertain and the dynamics are complex, but only coarse-grained information is of interest. We study scenarios with multiple interacting fields and derive the evolution of the particle occupation numbers from a Fokker-Planck equation. At late times, the typical occupation numbers grow exponentially which is the analog of Anderson localization for disordered wires. Some statistical features of the occupation numbers show hints of universality in the limit of a large number of interactions and/or a large number of fields. For test cases, excellent agreement is found between our analytic results and numerical simulations.

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M. Amin and D. Baumann
Thu, 10 Dec 15
45/63

Comments: 35 pages, 8 figures

The characterisation of irregularly-shaped particles: a re-consideration of finite-sized, porous and fractal grains [CL]

http://arxiv.org/abs/1511.01663


Context. A porous and/or fractal description can generally be applied where particles have undergone coagulation into aggregates. Aims. To characterise finite-sized, porous and fractal particles and to understand the possible limitations of these descriptions. Methods. We use simple structure, lattice and network considerations to determine the structural properties of irregular particles. Results. We find that, for finite-sized aggregates, the terms porosity and fractal dimension may be of limited usefulness and show with some critical and limiting assumptions, that highly-porous aggregates (porosity > 80%) may not be constructable. We also investigate their effective cross-sections using a simple cubic model. Conclusions. In place of the terms porosity and fractal dimension, for finite-sized aggregates, we propose the readily-determinable quantities of inflation, I (a measure of the solid filling factor and size), and dimensionality, D (a measure of the shape). These terms can be applied to characterise any form of particle, be it an irregular, homogeneous solid or a highly-extended aggregate.

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A. Jones
Mon, 9 Nov 15
50/55

Comments: 13 pages, 8 figures

Variations on a theme – the evolution of hydrocarbon solids: I. Compositional and spectral modelling – the eRCN and DG models [GA]

http://arxiv.org/abs/1511.01673


Context. The compositional properties of hydrogenated amorphous carbons are known to evolve in response to the local conditions. Aims. To present a model for low-temperature, amorphous hydrocarbon solids, based on the microphysical properties of random and defected networks of carbon and hydrogen atoms, that can be used to study and predict the evolution of their properties in the interstellar medium. Methods. We adopt an adaptable and prescriptive approach to model these materials, which is based on a random covalent network (RCN) model, extended here to a full compositional derivation (the eRCN model), and a defective graphite (DG) model for the hydrogen poorer materials where the eRCN model is no longer valid. Results. We provide simple expressions that enable the determination of the structural, infrared and spectral properties of amorphous hydrocarbon grains as a function of the hydrogen atomic fraction, XH. Structural annealing, resulting from hydrogen atom loss, results in a transition from H-rich, aliphatic-rich to H-poor, aromatic-rich materials. Conclusions. The model predicts changes in the optical properties of hydrogenated amorphous carbon dust in response to the likely UV photon-driven and/or thermal annealing processes resulting, principally, from the radiation field in the environment. We show how this dust component will evolve, compositionally and structurally in the interstellar medium in response to the local conditions.

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A. Jones
Fri, 6 Nov 15
10/69

Comments: 19 pages, 15 figures

Quantum path integral molecular dynamics simulations on transport properties of dense liquid helium [EPA]

http://arxiv.org/abs/1502.04554


Transport properties of dense liquid helium under the conditions of planet’s core and cool atmosphere of white dwarfs have been investigated by using the improved centroid path-integral simulations combined with density functional theory. The self-diffusion is largely higher and the shear viscosity is notably lower predicted with the quantum mechanical description of the nuclear motion compared with the description by Newton equation. The results show that nuclear quantum effects (NQEs), which depends on the temperature and density of the matter via the thermal de Broglie wavelength and the ionization of electrons, are essential for the transport properties of dense liquid helium at certain astrophysical conditions. The Stokes-Einstein relation between diffusion and viscosity in strongly coupled regime is also examined to display the influences of NQEs.

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D. Kang, J. Dai, H. Sun, et. al.
Tue, 17 Feb 15
22/60

Comments: 6 figures