Differential Algebras in Non-Commutative Geometry

We discuss the differential algebras used in Connes' approach to Yang-Mills theories with spontaneous symmetry breaking. These differential algebras generated by algebras of the form functions $\otimes$ matrix are shown to be skew tensorproducts of differential forms with a specific matrix algebra. For that we derive a general formula for differential algebras based on tensor products of algebras. The result is used to characterize differential algebras which appear in models with one symmetry breaking scale.Comment: 21 page

Numeričko modeliranje protjecanja metala u međuloncu sa šest žila pomoću različitih uređaja za kontrolu protjecanja

Numerical modelling have been extensively used to study the fluid flow phenomena taking place in continuous casting tundish. The paper presents the results of steel flow researches done on tundishs with a capacity of 22 Mg, with different flow control devices. The tundish is a “trough”-type designed for the continuous casting of slabs intended for small cross-section rolled products. In effect of mathematical calculations liquid steel velocity, turbulence intensity, turbulent kinetic energy and temperature distributions have been obtained. Calculations were passed by commercial computer program FLUENT.Numeričko modeliranje široko se primjenjuje za proučavanje fenomena protjecanja fluida koji se odvija u međuloncu uređaja za kontinuirano lijevanje. U članku su prezentirani rezultati istraživanja protjecanja čelika u međuloncima kapaciteta 22 Mg, s različitim uređajima za kontrolu protjecanja. Međulonac je "koritastog" tipa, a namijenjen je za kontinuirano lijevanje slabova za valjane proizvode malog poprečnog presjeka. Matematičkim proračunima dobije se brzina tekućeg čelika, intenzitet turbulencije, turbulentna kinetička energija i temperaturna raspodjela. Proračuni su provedeni na komercijalnom računalnom programu FLUENT

Mješanje i kemijska homogenizacija taline čelika u 100-tonskom livnom loncu

The article presents numerical simulations of fluid flow and chemical homogenization of liquid steel in gas-stirred ladle with two asymmetric porous plugs. In this study mixing time is analyzed as a function of porous plug location. All calculations were carried out by commercial computer program Fluent using k-ε turbulence model. Results show the velocity vectors of liquid steel and tracer concentration field after alloy addition. Numerical calculations were used to get the mixing time of liquid steel as a function of gas flow rate and porous plugs location.Članak predstavlja numeričke simulacije tijeka tekućine i kemijske homogenizacije tekućeg čelika u loncu s miješanjem plina pomoću asimetrično postavljenih poroznih čepova. U ovoj se studiji vrijeme miješanja analizira kao funkcija položaja poroznog čepa. Svi su izračuni provedeni pomoću komercijalnog računalskog programa Fluent koristeći k- ε modele turbulencije. Rezultati pokazuju vektore brzine tekućeg čelika i polje koncentracije obilježenih indikatora nakon dodavanja legure. Numerički su proračuni upotrijebljeni za dobivanje vremena miješanja tekućeg čelika kao funkcije brzine toka plina i položaja poroznog čep

Flow and mixing of liquid steel in multi-strand tundish delta type – physical modelling

The article presents the results of liquid steel flow and mixing in tundish when applying different equipment to modernize the tundish working zone. The six-strand continuous casting tundish of a trough-type was studied. Such tundish is an object with geometry adjusted to the conditions of particular CC machine, which is installed in one of a polish steel plant. The problems suggested in research were solved basing on physical model experiment

Impact of substituent effects on the Raman spectra of structurally related N-substituted diketopyrrolopyrroles

This document is the Accepted Manuscript version of the following article: Jesus Calvo-Castro, et al, ‘Impact of substituent effects on the Raman spectra of structurally related N-substituted diketopyrrolopyrroles’, Vibrational Spectroscopy, Vol. 83, pp. 8-16, March 2016, doi: https://doi.org/10.1016/j.vibspec.2015.12.004. This manuscript version is made available under the terms of the Creative Commons Attribution-NonCommercial-NoDerivatives License (http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited, and is not altered, transformed, or built upon in any way.Control over vibrational frequency modes is important in optimising the performance and behaviour of conjugated organic materials employed as charge transfer mediators and optical components in optoelectronic devices. Raman spectroscopy represents a powerful technique that can be employed to determine the structural implications of molecular substitution on photophysical properties in such conjugated organic environments. Herein, we report for the first time, the optimised geometries for a series of eight systematically varied N-substituted diketopyrrolopyrroles as well as their experimental and computed Raman spectra, with special emphasis placed upon their spectral band assignments. Clear out-of-plane structural re-arrangements, including pyramidalisation of the lactam nitrogens arising from intramolecular H-bonding interactions were observed upon N-substitution in the reported systems, leading to significant vibrational frequency shifts for ν(Nsingle bondC) and ν(Cdouble bond; length as m-dashO) modes. In addition, mode scaling factors were determined and found to be comparable with those reported previously, employed using the same density functional. The following study addresses the implications of structural variation on the progression of those intense Raman modes which play a key role in tuning the photophysical properties of N-substituted diketopyrrolopyrrole systems and as such should be of broad interest to those developing functional materials based upon this molecular motifPeer reviewe

Impact of systematic structural variation on the energetics of π−π stacking interactions and associated computed charge transfer integrals of crystalline diketopyrrolopyrroles

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth & Design, copyright © 2014 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see DOI: https://doi.org/10.1021/cg5010165, or ACS Articles on Request http://pubs.acs.org/page/policy/articlesonrequest/index.html/Control over solid state structure is critical for effective performance in optoelectronic devices bearing π-conjugated charge mediating organic materials. A series of five structurally related N-benzyl-substituted diketopyrrolopyrroles (DPPs) differing ... Novel crystal structures demonstrating long molecular axis, slipped, π−π cofacial stacking motifs and associated semiconductor bands in a series of N-benzylated diketopyrrolopyrroles are reported. Through variation of just 2 atoms from 60, clear crystal structure/(computed) charge transport activity interdependency is observed, with two structures exhibiting hole transport integrals comparable to Rubrene, a highly effective positive charge carrying, organic, crystalline materialPeer reviewedFinal Accepted Versio

Noise in neurons is message-dependent

Neuronal responses are conspicuously variable. We focus on one particular aspect of that variability: the precision of action potential timing. We show that for common models of noisy spike generation, elementary considerations imply that such variability is a function of the input, and can be made arbitrarily large or small by a suitable choice of inputs. Our considerations are expected to extend to virtually any mechanism of spike generation, and we illustrate them with data from the visual pathway. Thus, a simplification usually made in the application of information theory to neural processing is violated: noise {\sl is not independent of the message}. However, we also show the existence of {\sl error-correcting} topologies, which can achieve better timing reliability than their components.Comment: 6 pages,6 figures. Proceedings of the National Academy of Sciences (in press

Flexible n-i-p thin film silicon solar cells on polyimide foils with textured ZnO:Ga back reflector

In thin film silicon solar cells on opaque substrates in n-i-p deposition sequence where the textured transparent conductive oxide (TCO) layer serves as a back reflector, one can independently optimize the morphology of the TCO layer without compromise on transparency and conductivity of this layer and further adjust the electro-optical properties of the back contact by using additional layers on top of the textured TCO. In the present work, we use this strategy to obtain textured back reflectors for solar cells in n-i-p deposition sequence on non-transparent flexible plastic foils. Gallium doped ZnO (ZnO:Ga) films were deposited on polyimide substrates by DC magnetron sputtering at a temperature of 200 °C. A wet-chemical etching step was performed by dipping the ZnO:Ga covered foil into a diluted HCl solution. The textured ZnO:Ga is then coated with a highly reflective Ag/ZnO double layer. On this back reflector, we develop thin film silicon solar cells with a microcrystalline silicon absorber layer. The current density for the cell with the textured ZnO:Ga layer is ~ 23 mA/cm2, 4 mA/cm2 higher than the one without such layer, and a maximum efficiency of 7.5% is obtained for a 1 cm2 cell.Fundação para a Ciência e a Tecnologia (FCT

Intermolecular interactions and energetics in the crystalline π–π stacks and associated model dimer systems of asymmetric halogenated diketopyrrolopyrroles

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth & Design, © 2016 American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see DOI: 10.1021/acs.cgd.5b01656/Four novel structurally analogous asymmetric, halogenated N-benzyl substituted diketopyrrolopyrroles (DPP) have been synthesized, and their crystal structures obtained. All four crystal structures exhibit π–π stacks with very small displacements along their short molecular axes, which based upon our previous studies involving symmetrical DPPs is a characteristic of N-benzyl substitution. Intermolecular interaction energies were computed for extracted crystal π–π dimer pairs by means of M06-2X density functional at the 6-311G(d) level to investigate the most energetically favored position of the halogen atoms in FBDPP and ClBDPP structures. In addition, effective stabilization energies arising from both benzyl and halogen substitution in these derivatives and in BrBDPP and IBDPP π–π dimer pairs were determined in order to probe the impact of these groups on the resulting dimer stability. Effects of the intermonomer displacements along the long molecular axis, which have been shown by us previously to significantly influence wavefunction overlap and effective electronic coupling, were investigated in detail using aligned and anti-aligned model systems of ClDPP and BrDPP. The predictions of these model systems are remarkably consistent with the observed displacements in their crystal derived π–π dimer pair equivalents, offering insight into the effective role of intermolecular contacts in crystal structures involving this molecular motif, particularly with a view toward crystal engineering in these systems. As a result, we believe that this study should be of significant interest to the growing DPP based materials community and in general to those investigating the detailed manner by which substituents can be employed in the supramolecular design of crystalline molecular architectures.Peer reviewedFinal Accepted Versio