Cubic spline prewavelets on the four-directional mesh

In this paper, we design differentiable, two dimensional, piecewise polynomial cubic prewavelets of particularly small compact support. They are given in closed form, and provide stable, orthogonal decompositions of L^2(\RR^2). In particular, the splines we use in our prewavelet constructions give rise to stable bases of spline spaces that contain all cubic polynomials, whereas the more familiar box spline constructions cannot reproduce all cubic polynomials, unless resorting to a box spline of higher polynomial degree

Quantum coherence and carriers mobility in organic semiconductors

We present a model of charge transport in organic molecular semiconductors based on the effects of lattice fluctuations on the quantum coherence of the electronic state of the charge carrier. Thermal intermolecular phonons and librations tend to localize pure coherent states and to assist the motion of less coherent ones. Decoherence is thus the primary mechanism by which conduction occurs. It is driven by the coupling of the carrier to the molecular lattice through polarization and transfer integral fluctuations as described by the hamiltonian of Gosar and Choi. Localization effects in the quantum coherent regime are modeled via the Anderson hamiltonian with correlated diagonal and non-diagonal disorder leading to the determination of the carrier localization length. This length defines the coherent extension of the ground state and determines, in turn, the diffusion range in the incoherent regime and thus the mobility. The transfer integral disorder of Troisi and Orlandi can also be incorporated. This model, based on the idea of decoherence, allowed us to predict the value and temperature dependence of the carrier mobility in prototypical organic semiconductors that are in qualitative accord with experiments

Structure of 3D Printed Ti-6Al-4V Alloy after Low-frequency Processing

The structure and residual elastic stresses in 3D printed (Selective laser melting) Ti-6A1-4V samples after the low-frequency vibration processing were investigated. The studied samples were manufactured horizontally in respect to the building platform. Different vibration oscillations modes (vertical, horizontal, and elliptical) were chosen for study. The oscillations were done with frequency of 16 Hz, and a processing time was 20 minutes. Studies shown that 3D printed samples had a high level of residual elastic stresses, which were changed after vibration treatment. The influence of the low-frequency processing on the phase composition of the alloy was found. © Published under licence by IOP Publishing Ltd

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

Synthesis and spectral properties of colloidal solutions of metal sulfides

Cadmium, lead, and zinc sulfides as well as cadmium and lead (cadmium and zinc) complex sulfides have been synthesized in the colloidal state by reaction of metal trifluoroacetates with thioacetamide in ethyl acetate and methylmethacrylate. Synthesis products have been isolated from the reaction solutions and studied by X-ray diffraction, vibrational and electronic spectroscopy, and electronic microscopy. The effect of the composition on spectral properties of formulations has been discussed. The formation of colloidal particles and the stability of solutions are related to the complexation

Phosphorylase kinase: Mathematical model

A mathematical model of the dynamic behavior of phosphorylase kinase was devised. Based on the results obtained, the function of this protein is discussed. It is suggested that phosphorylase kinase doses in a cAMP-dependent manner additional portions of glucoso-1-phosphate, which the muscle cell receives in response to contraction