528 research outputs found
Automation of obtaining initial estimates of reservoir parameters when processing the pressure change curve
This paper proposes the use of artificial neural network for the identification of the modes of filtration that will help to set the initial estimates of the parameters of the reservoir in accordance with the established nature of fluid flow in porous media. The evaluation procedures with the degree of accumulation, permeability, skin factor, coefficient of compressibility of formation and transmittance are described. The results of the experiment on a set of real data of well testing are used to assess the effectiveness of the proposed approach
Monoclinic form I of clopidogrel hydrogen sulfate from powder diffraction data
The asymmetric unit of the title compound, C16H17ClNO2S+·HSO4
−, (I) [systematic name: (+)-(S)-5-[(2-chlorophenyl)(methoxycarbonyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium hydrogen sulfate], contains two independent cations of clopidogrel and two independent hydrogensulfate anions. The two independent cations are of similar conformation; however, this differs from that observed in orthorhombic form (II) [Bousquet et al. (2003 ▶). US Patent No. 6 504 030]. The H—N—Cchiral—H fragment shows a trans conformation in both independent cations in (I) and a gauche conformation in (II). In (I), classical intermolecular N—H⋯O and O—H⋯O hydrogen bonds link two independent cations and two independent anions into an isolated cluster, in which two cations interact with one anion only via N—H⋯O hydrogen bonds. Weak intermolecular C—H⋯O hydrogen bonds further consolidate the crystal packing
Vibrational spectroscopy of GdCr3(BO3)4: Quantitative separation of crystalline phases
This work is devoted to the investigation of GdCr3(BO3)4 crystals by the method of infrared spectroscopy. Incongruently melting borate GdCr3(BO3)4 was obtained as a result of spontaneous crystallization. Crystal structures were identified by the method of infrared spectroscopy. Ab initio calculations in the frame of density functional theory enabled us to separate modes belonging to the R32 and C2/c phases and to estimate the ratio of these phases in GdCr3(BO3)4 crystals. We have found that the content of the rhombohedral R32 (non- centrosymmetric) modification is about 85%. © Published under licence by IOP Publishing Ltd
Spin Diffusion in Double-Exchange Manganites
The theoretical study of spin diffusion in double-exchange magnets by means
of dynamical mean-field theory is presented. We demonstrate that the
spin-diffusion coefficient becomes independent of the Hund's coupling JH in the
range of parameters JH*S >> W >> T, W being the bandwidth, relevant to colossal
magnetoresistive manganites in the metallic part of their phase diagram. Our
study reveals a close correspondence as well as some counterintuitive
differences between the results on Bethe and hypercubic lattices. Our results
are in accord with neutron scattering data and with previous theoretical work
for high temperatures.Comment: 4.0 pages, 3 figures, RevTeX 4, replaced with the published versio
Protective Effect of Meso-Tetrakis-(3,5-di-tert-butyl-4-hydroxyphenyl)porphyrin on the In Vivo Impact of Trimethyltin Chloride on the Antioxidative Defense System
The in vivo effect of trimethyltin chloride (Me(3)SnCl), free base meso-tetrakis(3,5-di-tert-butyl-4-hydroxyphenyl)porphyrin (R′(4)PH(2)) and their equimolar mixture, on the enzymatic activity of catalase (CAT), superoxide dismutase (SOD), and on the total content of free sulfhydryl groups has been studied in rat liver and kidney. It was demonstrated that the simultaneous treatment of tested animals with the combination of Me(3)SnCl and R′(4)PH(2) reduced the toxic impact of Me(3)SnCl
Lifetime of Gapped Excitations in a Collinear Quantum Antiferromagnet
We demonstrate that local modulations of magnetic couplings have a profound
effect on the temperature dependence of the relaxation rate of optical magnons
in a wide class of antiferromagnets in which gapped excitations coexist with
acoustic spin waves. In a two-dimensional collinear antiferromagnet with an
easy-plane anisotropy, the disorder-induced relaxation rate of the gapped mode,
Gamma_imp=Gamma_0+A(TlnT)^2, greatly exceeds the magnon-magnon damping,
Gamma_m-m=BT^5, negligible at low temperatures. We measure the lifetime of
gapped magnons in a prototype XY antiferromagnet BaNi2(PO4)2 using a
high-resolution neutron-resonance spin-echo technique and find experimental
data in close accord with the theoretical prediction. Similarly strong effects
of disorder in the three-dimensional case and in noncollinear antiferromagnets
are discussed.Comment: 4.5 pages + 2.5 pages supplementary material, published versio
Proton Wires in an Electric Field: the Impact of Grotthuss Mechanism on Charge Translocation
We present the results of the modeling of proton translocation in finite
H-bonded chains in the framework of two-stage proton transport model. We
explore the influence of reorientation motion of protons, as well as the effect
of electric field and proton correlations on system dynamics. An increase of
the reorientation energy results in the transition of proton charge from the
surrounding to the inner water molecules in the chain. Proton migration along
the chain in an external electric field has a step-like character, proceeding
with the occurrence of electric field threshold-type effects and drastic
redistribution of proton charge. Electric field applied to correlated chains
induces first a formation of ordered dipole structures for lower field
strength, and than, with a further field strength increase, a stabilization of
states with Bjerrum D-defects. We analyze the main factors responsible for the
formation/annihilation of Bjerrum defects showing the strong influence of the
complex interplay between reorientation energy, electric field and temperature
in the dynamics of proton wire.Comment: 28 pages, 9 figure
Thermal drag revisited: Boltzmann versus Kubo
The effect of mutual drag between phonons and spin excitations on the thermal
conductivity of a quantum spin system is discussed. We derive general
expression for the drag component of the thermal current using both Boltzmann
equation approach and Kubo linear-response formalism to leading order in the
spin-phonon coupling. We demonstrate that aside from higher-order corrections
which appear in the Kubo formalism both approaches yield identical results for
the drag thermal conductivity. We discuss the range of applicability of our
result and provide a generalization of our consideration to the cases of
fermionic excitations and to anomalous forms of boson-phonon coupling. Several
asymptotic regimes of our findings relevant to realistic situations are
highlighted.Comment: 14 pages, 3 figures, published version, extended discussio
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