958 resultados para crystal and ligand fields


Relevância:

100.00% 100.00%

Publicador:

Resumo:

A comparative study of the switching properties of pure and √-irradiated TGSe crystals has been carried out to see the effect of irradiation on the structure and dynamics of domains. The switching behaviour of √-irradiated TGSe has been found to be qualitatively similar to that of unirradiated crystal and this has been interpreted in terms of structural inhibition caused by the formation of radiolysis products as well as the difference between the domain structures of the unirradiated and irradiated samples. Confirmation of this has been obtained by studying the domain patterns using the etch method.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

We study the elasticity, topological defects, and hydrodynamics of the recently discovered incommensurate smectic (AIC) phase, characterized by two collinear mass density waves of incommensurate spatial frequency. The low-energy long-wavelength excitations of the system can be described by a displacement field u(x) and a ��phason�� field w(x) associated, respectively, with collective and relative motion of the two constituent density waves. We formulate the elastic free energy in terms of these two variables and find that when w=0, its functional dependence on u is identical to that of a conventional smectic liquid crystal, while when u=0, its functional dependence on w is the same as that for the angle variable in a slightly anisotropic XY model. An arbitrariness in the definition of u and w allows a choice that eliminates all relevant couplings between them in the long-wavelength elastic energy. The topological defects of the system are dislocations with nonzero u and w components. We introduce a two-dimensional Burgers lattice for these dislocations, and compute the interaction between them. This has two parts: one arising from the u field that is short ranged and identical to the interaction between dislocations in an ordinary smectic liquid crystal, and one arising from the w field that is long ranged and identical to the logarithmic interaction between vortices in an XY model. The hydrodynamic modes of the AIC include first- and second-sound modes whose direction-dependent velocities are identical to those in ordinary smectics. The sound attenuations have a different direction dependence, however. The breakdown of hydrodynamics found in conventional smectic liquid crystals, with three of the five viscosities diverging as 1/? at small frequencies ?, occurs in these systems as well and is identical in all its details. In addition, there is a diffusive phason mode, not found in ordinary smectic liquid crystals, that leads to anomalously slow mechanical response analogous to that predicted in quasicrystals, but on a far more experimentally accessible time scale.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

A comparative study of the switching properties of pure and √-irradiated TGSe crystals has been carried out to see the effect of irradiation on the structure and dynamics of domains. The switching behaviour of √-irradiated TGSe has been found to be qualitatively similar to that of unirradiated crystal and this has been interpreted in terms of structural inhibition caused by the formation of radiolysis products as well as the difference between the domain structures of the unirradiated and irradiated samples. Confirmation of this has been obtained by studying the domain patterns using the etch method.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

In the study, the potential allowable cut in the district of Pohjois-Savo - based on the non-industrial private forest landowners' (NIPF) choices of timber management strategies - was clarified. Alternative timber management strategies were generated, and the choices and factors affecting the choices of timber management strategies by NIPF landowners were studied. The choices of timber management strategies were solved by maximizing the utility functions of the NIPF landowners. The parameters of the utility functions were estimated using the Analytic Hierarchy Process (AHP). The level of the potential allowable cut was compared to the cutting budgets based on the 7th and 8th National Forest Inventories (NFI7 and NFI8), to the combining of private forestry plans, and to the realized drain from non-industrial private forests. The potential allowable cut was calculated using the same MELA system as has been used in the calculation of the national cutting budget. The data consisted of the NIPF holdings (from the TASO planning system) that had been inventoried compartmentwise and had forestry plans made during the years 1984-1992. The NIPF landowners' choices of timber management strategies were clarified by a two-phase mail inquiry. The most preferred strategy obtained was "sustainability" (chosen by 62 % of landowners). The second in order of preference was "finance" (17 %) and the third was "saving" (11 %). "No cuttings", and "maximum cuttings" were the least preferred (9 % and 1 %, resp.). The factors promoting the choices of strategies with intensive cuttings were a) "farmer as forest owner" and "owning fields", b) "increase in the size of the forest holding", c) agriculture and forestry orientation in production, d) "decreasing short term stumpage earning expectations", e) "increasing intensity of future cuttings", and f) "choice of forest taxation system based on site productivity". The potential allowable cut defined in the study was 20 % higher than the average of the realized drain during the years 1988-1993, which in turn, was at the same level as the cutting budget based on the combining of forestry plans in eastern Finland. Respectively, the potential allowable cut defined in the study was 12 % lower than the NFI8-based greatest sustained allowable cut for the 1990s. Using the method presented in this study, timber management strategies can be clarified for non-industrial private forest landowners in different parts of Finland. Based on the choices of timber managemet strategies, regular cutting budgets can be calculated more realistically than before.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Electrochemical quartz crystal microbalance (EQCM) has been used to study the electrochemical precipitation of Mn(OH)(2) on a Au crystal and its capacitance properties. From the EQCM data, it is inferred that NO3- ions get adsorbed on the Au crystal and then undergo reduction, resulting in an increase in pH near the electrode surface. Precipitation of Mn2+ occurs as Mn(OH)(2), with an increase in mass of the Au crystal. Mn(OH)(2) undergoes oxidation to MnO2, which exhibits electrochemical supercapacitor behavior on subjecting to electrochemical cycling in a Na2SO4 electrolyte. EQCM data indicate mass variations corresponding to surface insertion/extraction of Na+ ions during discharge/charge cycling. (C) 2010 The Electrochemical Society. DOI: 10.1149/1.3479665] All rights reserved.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Use of natural xanthine derivates in medicine is complicated with their physical properties. Theobromine is poorly soluble while theophylline is highly sensitive to hydration. The aim of this study was to improve bioavailability of xanthines by co-crystallization, theophylline was also cocrystallized with carboxylic acids (capric, citric, glutaric, malenic, malonic, oxalic, stearic, succinic) and HPMC. Co-crystallization was performed by slow evaporation and ball milling. Physical stability was checked by wet granulation and water sorption methods, solubility was measured by intrinsic tablet dissolution. Theobromine formed co-crystal with other xanthines and theophylline interacted with all acids except stearic and HPMC, the latter showed alternative interactions based on hydrogen bonding. Hydration resistance was good in theophylline:succinic acid co-crystal and excellent in complexes containing capric, stearic acids and HPMC. Theophylline:HPMC showed improved solubility. The reported approach can promote use of xanthines and can be recommended for other compounds with similar problems.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

The crystal and molecular structures of the Tris salt of adenosine 5'-diphosphate were determined from X-ray diffraction data. The crystals are monoclinic, space P21, and Z = 2 with a=9.198 (2) A, b=6.894 (1) A, c=18.440 (4) A, and beta = 92.55 (2) degrees. Intensity data were collected on an automated diffractometer. The structure was solved by the heavy-atom technique and refined by least squares to R = 0.047. The ADP molecule adopts a folded conformation. The conformation about the glycosidic bond is anti. The conformation of the ribose ring is close to a perfect C(2')-endo-C-(3')-exo puckering. The conformation about C(4')-C(5') is gauche-gauche, similar to other nucleotide structures. The pyrophosphate chain displays a nearly eclipsed geometry when viewed down the P-P vector, unlike the staggered conformation observed in crystal structures of other pyrophosphates. The less favorable eclipsed conformation probably results from the observed association of Tris molecules with the polar diphosphate chain through electrostatic interactions and hydrogen bonds. Such interactions may play an important role in Tris-buffered aqueous solutions of nucleotides and metal ions.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

The crystal and molecular structure of sodium deoxyinosine monophosphate (5'-dIMP) has been determined by x-ray crystallographic methods. The crystals belong to orthorhombic space group P212121, with a = 21.079(5) Aring, b = 9.206(3) Aring and c = 12.770(6) Aring. This deoxynucleotide shows common nucleotide features namely anti conformation about the glycosyl bond, C2' endo pucker for the deoxyribose sugar and gauche-gauche orientation for the phosphate group. The sodium ion is directly coordinated to the O3' atom, a feature observed in many crystal structures of sodium salts of nucleotides.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Interaction of CO with Cu clusters deposited on a ZnO(0001) crystal and on ZnO/Zn surfaces (prepared in the electron spectrometer) has been examined by UV and X-ray photoelectron spectroscopy. The interaction is stronger with the small Cu clusters deposited on ZnO/Zn surfaces. Interaction of CO is evert stronger with annealed Cu/ZnO/Zn surfaces where Cu-Zn alloy particles are present. Copyright (C) 1996 Published by Elsevier Science Ltd

Relevância:

100.00% 100.00%

Publicador:

Resumo:

In this work, dynamic crack growth along a ductile-brittle interface under anti-plane strain conditions is studied. The ductile solid is taken to obey the J(2) flow theory of plasticity with linear isotropic strain hardening, while the substrate is assumed to exhibit linear elastic behavior. Firstly, the asymptotic near-tip stress and velocity fields are derived. These fields are assumed to be variable-separable with a power singularity in the radial coordinate centered at the crack tip. The effects of crack speed, strain hardening of the ductile phase and mismatch in elastic moduli of the two phases on the singularity exponent and the angular functions are studied. Secondly, full-field finite element analyses of the problem under small-scale yielding conditions are performed. The validity of the asymptotic fields and their range of dominance are determined by comparing them with the results of the full-field finite element analyses. Finally, theoretical predictions are made of the variations of the dynamic fracture toughness with crack velocity. The influence of the bi-material parameters on the above variation is investigated.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

This paper contains a review of the physical properties of the undoped and alkali-doped C60 materials, including their crystal structure, electronic, optical and vibrational properties and the effect of pressure on the crystal and electronic structure. The mechanisms of superconductivity in alkali-doped C60 in terms of phonon mediated electron pairing vis-a-vis electronic interaction effects are discussed.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

We explore the consequences of the model of spin-down-induced flux expulsion for the magnetic field evolution in solitary as well as in binary neutron stars. The spin evolution of pulsars, allowing for their field evolution according to this model, is shown to be consistent with the existing observational constraints in both low- and high-mass X-ray binary systems. The contribution from pulsars recycled in massive binaries to the observed excess in the number of low-field (10(11)-10(12) G) solitary pulsars is argued to be negligible in comparison with that of normal pulsars undergoing a 'restricted' field decay predicted by the adopted field decay model. Magnetic fields of neutron stars born in close binaries with intermediate- or high-mass main-sequence companions are predicted to decay down to values as low as similar to 10(6) G, which would leave them unobservable as pulsars during most of their lifetimes. The post-recycling evolution of some of these systems can, however, account for the observed binary pulsars having neutron star or massive white dwarf companions. Pulsars recycled in the disc population low-mass binaries are expected to have residual fields greater than or similar to 10(8) G, while for those processed in globular clusters larger residual fields are predicted because of the lower field strength of the neutron star at the epoch of binary formation. A value of tau similar to 1-2 x 10(7) yr for the mean value of the Ohmic decay time-scale in the crusts of neutron stars is suggested, based on the consistency of the model predictions with the observed distribution of periods and magnetic fields in the single and binary pulsars.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl 1,10-ditosylate and its precursors were synthesized and characterized by H-1- and F-19-NMR spectroscopic methods and X-ray crystallography. These compounds are building blocks for the syntheses of the surfactants containing polyperfluoromethylene spacer. The molecule has extended all-trans conformation with molecular symmetry (1) over bar (C-i). There is a reasonably strong C-H ... O interaction in the crystal and there are two F ... F intermolecular contact distances less than the sum of van der Waals radii. (C) 1999 Elsevier Science B.V. All rights reserved.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Molecules exhibiting a thermotropic liquid-crystalline property have acquired significant importance due to their sensitivity to external stimuli such as temperature, mechanical forces, and electric and magnetic fields. As a result, several novel mesogens have been synthesized by the introduction of various functional groups in the vicinity of the aromatic core as well as in the side chains and their properties have been studied. In the present study, we report three-ring mesogens with hydroxyl groups at one terminal. These mesogens were synthesized by a multistep route, and structural characterization was accomplished by spectral techniques. The mesophase properties were studied by hot-stage optical polarizing microscopy, differential scanning calorimetry, and small-angle X-ray scattering. An enantiotropic nematic phase was noticed for lower homologues, while an additional smectic C phase was found for higher homologues. Solid-state high-resolution natural abundance (13)C NMR studies of a typical mesogen in the solid phase and in the mesophases have been carried out. The (13)C NMR spectrum of the mesogen in the smectic C and nematic phases indicated spontaneous alignment of the molecule in the magnetic field. By utilizing the two-dimensional separated local field (SLF) NMR experiment known as SAMPI4, (13)C-(1)H dipolar couplings have been obtained, which were utilized to determine the orientational order parameters of the mesogen.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

In this paper, the radiated electric and magnetic fields above a perfectly conducting ground at different heights from 10 m to 10 km and for lateral distances varying from 20 m to 10 km from a lightning return stroke channel are computed and the field waveforms are presented. It has been observed that the vertical electric field reverses its polarity with height and this height depends on the radial distance from the lightning channel. The magnitude of the horizontal electric field, on the other hand,increases with height up to a certain height and then reduces. The effect of variation in the rate of rise of lightning current (di/dt) and the velocity of return stroke current on the radiated electric and magnetic fields for the above heights and distances have also been studied. It is seen that the variation in maximum current derivative does not have a significant influence on the electric field when ground is assumed as a perfect conductor but it influences significantly the horizontal electric field when ground has finite conductivity. The velocity of propagation of return stroke current on the other hand has significant influence for both perfectly as well as finitely conducting ground conditions.