Use of quantitative structure-property relationships to study the solvation process of 18-crown-6

Solution enthalpies of 18-crown-6 have been obtained for a set of 14 protic and aprotic solvents at 298.15 K. The complementary use of Solomonov's methodology and a QSPR-based approach allowed the identification of the most significant solvent descriptors that model the interaction enthalpy contribution of the solution process (Delta H-int(A/S)). Results were compared with data previously obtained for 1,4-dioxane. Although the interaction enthalpies of 18-crown-6 correlate well with those of 1,4-dioxane, the magnitude of the most relevant parameters, pi* and beta, is almost three times higher for 18-crown-6. This is rationalized in terms of the impact of the solute's volume in the solution processes of both compounds. (C) 2015 Elsevier B.V. All rights reserved.

A cellulosic liquid crystal pool for cellulose nanocrystals: structure and molecular dynamics at high shear rates

Cellulose and its derivatives, such as hydroxypropylcellulose (HPC) have been studied for a long time but they are still not well understood particularly in liquid crystalline solutions. These systems can be at the origin of networks with properties similar to liquid crystalline (LC) elastomers. The films produced from LC solutions can be manipulated by the action of moisture allowing for instance the development of a soft motor (Geng et al., 2013) driven by humidity. Cellulose nanocrystals (CNC), which combine cellulose properties with the specific characteristics of nanoscale materials, have been mainly studied for their potential as a reinforcing agent. Suspensions of CNC can also self-order originating a liquid-crystalline chiral nematic phases. Considering the liquid crystalline features that both LC-HPC and CNC can acquire, we prepared LC-HPC/CNC solutions with different CNC contents (1,2 and 5 wt.%). The effect of the CNC into the LC-HPC matrix was determined by coupling rheology and NMR spectroscopy - Rheo-NMR a technique tailored to analyse orientational order in sheared systems. (C) 2015 Elsevier Ltd. All rights reserved.

Influence of the substrate on structure and magnetic properties of Co-N thin films

Cubic cobalt nitride films were grown onto different single crystalline substrates Al2O3 (0 0 0 1) and (1 1 View the MathML source 0), MgO (1 0 0) and (1 1 0) and TiO2 (1 0 0) and (1 1 0). The films display low atomic densities compared with the bulk material, are ferromagnetic and have metallic electrical conductivity. X-ray diffraction and X-ray absorption fine structure confirm the cubic structure of the films and with RBS results indicate that samples are not homogeneous at the microscopic scale, coexisting Co4+xN nitride with nitrogen rich regions. The magnetization of the films decreases with increase of the nitrogen content, variation that is shown to be due to the decrease of the cobalt density, and not to a decrease of the magnetic moment per cobalt ion. The films are crystalline with a nitrogen deficient stoichiometry and epitaxial with orientation determined by the substrate.

Upper crustal structure of Madeira Island revealed from ambient noise tomography

We present the first image of the Madeira upper crustal structure, using ambient seismic noise tomography. 16 months of ambient noise, recorded in a dense network of 26 seismometers deployed across Madeira, allowed reconstructing Rayleigh wave Green's functions between receivers. Dispersion analysis was performed in the short period band from 1.0 to 4.0 s. Group velocity measurements were regionalized to obtain 20 tomographic images, with a lateral resolution of 2.0 km in central Madeira. Afterwards, the dispersion curves, extracted from each cell of the 2D group velocity maps, were inverted as a function of depth to obtain a 3D shear wave velocity model of the upper crust, from the surface to a depth of 2.0 km. The obtained 3D velocity model reveals features throughout the island that correlates well with surface geology and island evolution. (C) 2015 Elsevier B.V. All rights reserved.

Upper crustal structure of Madeira Island revealed from ambient noise tomography

We present the first image of the Madeira upper crustal structure, using ambient seismic noise tomography. 16 months of ambient noise, recorded in a dense network of 26 seismometers deployed across Madeira, allowed reconstructing Rayleigh wave Green's functions between receivers. Dispersion analysis was performed in the short period band from 1.0 to 4.0 s. Group velocity measurements were regionalized to obtain 20 tomographic images, with a lateral resolution of 2.0 km in central Madeira. Afterwards, the dispersion curves, extracted from each cell of the 2D group velocity maps, were inverted as a function of depth to obtain a 3D shear wave velocity model of the upper crust, from the surface to a depth of 2.0 km. The obtained 3D velocity model reveals features throughout the island that correlates well with surface geology and island evolution. (C) 2015 Elsevier B.V. All rights reserved.

Mantle beneath the Gibraltar Arc from receiver functions

P and S receiver functions (PRF and SRF) from 19 seismograph stations in the Gibraltar Arc and the Iberian Massif reveal new details of the regional deep structure. Within the high-velocity mantle body below southern Spain the 660-km discontinuity is depressed by at least 20 km. The Ps phase from the 410-km discontinuity is missing at most stations in the Gibraltar Arc. A thin (similar to 50 km) low-S-velocity layer atop the 410-km discontinuity is found under the Atlantic margin. At most stations the S410p phase in the SRFs arrives 1.0-2.5 s earlier than predicted by IASP91 model, but, for the propagation paths through the upper mantle below southern Spain, the arrivals of S410p are delayed by up to +1.5 s. The early arrivals can be explained by elevated Vp/Vs ratio in the upper mantle or by a depressed 410-km discontinuity. The positive residuals are indicative of a low (similar to 1.7 versus similar to 1.8 in IASP91) Vp/Vs ratio. Previously, the low ratio was found in depleted lithosphere of Precambrian cratons. From simultaneous inversion of the PRFs and SRFs we recognize two types of the mantle: 'continental' and 'oceanic'. In the 'continental' upper mantle the S-wave velocity in the high-velocity lid is 4.4-4.5 km s(-1), the S-velocity contrast between the lid and the underlying mantle is often near the limit of resolution (0.1 km s(-1)), and the bottom of the lid is at a depth reaching 90 100 km. In the 'oceanic' domain, the S-wave velocities in the lid and the underlying mantle are typically 4.2-4.3 and similar to 4.0 km s(-1), respectively. The bottom of the lid is at a shallow depth (around 50 km), and at some locations the lid is replaced by a low S-wave velocity layer. The narrow S-N-oriented band of earthquakes at depths from 70 to 120 km in the Alboran Sea is in the 'continental' domain, near the boundary between the 'continental' and 'oceanic' domains, and the intermediate seismicity may be an effect of ongoing destruction of the continental lithosphere.

Ambient noise tomography of the East African Rift in Mozambique

Seismic ambient noise tomography is applied to central and southern Mozambique, located in the tip of the East African Rift (EAR). The deployment of MOZART seismic network, with a total of 30 broad-band stations continuously recording for 26 months, allowed us to carry out the first tomographic study of the crust under this region, which until now remained largely unexplored at this scale. From cross-correlations extracted from coherent noise we obtained Rayleigh wave group velocity dispersion curves for the period range 5–40 s. These dispersion relations were inverted to produce group velocity maps, and 1-D shear wave velocity profiles at selected points. High group velocities are observed at all periods on the eastern edge of the Kaapvaal and Zimbabwe cratons, in agreement with the findings of previous studies. Further east, a pronounced slow anomaly is observed in central and southern Mozambique, where the rifting between southern Africa and Antarctica created a passive margin in the Mesozoic, and further rifting is currently happening as a result of the southward propagation of the EAR. In this study, we also addressed the question concerning the nature of the crust (continental versus oceanic) in the Mozambique Coastal Plains (MCP), still in debate. Our data do not support previous suggestions that the MCP are floored by oceanic crust since a shallow Moho could not be detected, and we discuss an alternative explanation for its ocean-like magnetic signature. Our velocity maps suggest that the crystalline basement of the Zimbabwe craton may extend further east well into Mozambique underneath the sediment cover, contrary to what is usually assumed, while further south the Kaapval craton passes into slow rifted crust at the Lebombo monocline as expected. The sharp passage from fast crust to slow crust on the northern part of the study area coincides with the seismically active NNE-SSW Urema rift, while further south the Mazenga graben adopts an N-S direction parallel to the eastern limit of the Kaapvaal craton. We conclude that these two extensional structures herald the southward continuation of the EAR, and infer a structural control of the transition between the two types of crust on the ongoing deformation.

Soliton-type and other travelling wave solutions for an improved class of nonlinear sixth-order Boussinesq equations

An improved class of nonlinear bidirectional Boussinesq equations of sixth order using a wave surface elevation formulation is derived. Exact travelling wave solutions for the proposed class of nonlinear evolution equations are deduced. A new exact travelling wave solution is found which is the uniform limit of a geometric series. The ratio of this series is proportional to a classical soliton-type solution of the form of the square of a hyperbolic secant function. This happens for some values of the wave propagation velocity. However, there are other values of this velocity which display this new type of soliton, but the classical soliton structure vanishes in some regions of the domain. Exact solutions of the form of the square of the classical soliton are also deduced. In some cases, we find that the ratio between the amplitude of this wave and the amplitude of the classical soliton is equal to 35/36. It is shown that different families of travelling wave solutions are associated with different values of the parameters introduced in the improved equations.

Propagation of waves generated by a pressure disturbance moving in a channel

This paper studies the effect of ship speed and water depth on the propagation of ship generated waves. The ship is represented by a moving pressure distribution function at the free surface that is able to reproduce most of the phenomena involved in wave propagation. Results are obtained for a ship sailing along a coastal stretch made of a sloping bottom and a constant depth region. The results show that in the sloping bottom the crests of waves are bent along the slope and in the constant depth the standard Kelvin wave patterns can be found for the subcritical regime. In the critical regime the wave system is characterized by significant diverging waves and for a supercritical regime, the transverse waves disappear. © 2015 Taylor & Francis Group, London.

Algebraic structure for interaction on mixed models

Binary operations on commutative Jordan algebras, CJA, can be used to study interactions between sets of factors belonging to a pair of models in which one nests the other. It should be noted that from two CJA we can, through these binary operations, build CJA. So when we nest the treatments from one model in each treatment of another model, we can study the interactions between sets of factors of the first and the second models.