Dressed projectile charge state dependence of differential electron emission from Ne atom

We study the projectile charge state dependence of doubly differential electron emission cross section (DDCS) in ionization of Ne under the impact of dressed and bare oxygen ions. Experimental DDCS results measured at different angles are compared with the calculations based on a CDW-EIS approximation using the GSZ model potential to describe projectile active-electron interaction. This prescription gives an overall very good agreement. In general a deviation from the q2-law was observed in the DDCS. The observations crudely identify the dominance of different projectile electron loss mechanisms at certain electron energy range.Fil: Biswas, S.. Tata Institute of Fundamental Research; IndiaFil: Monti, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Rivarola, Roberto Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Tribedi, L. C.. Tata Institute of Fundamental Research; Indi

Extension of charge-state-distribution calculations for ion-solid collisions towards low velocities and many-electron ions

Knowledge of the detailed evolution of the whole charge-state distribution of projectile ions colliding with targets is required in several fields of research such as material science and atomic and nuclear physics but also in accelerator physics, and in particular in regard to the several foreseen large-scale facilities. However, there is a lack of data for collisions in the nonperturbative energy domain and that involve many-electron projectiles. Starting from the etacha model we developed [Rozet, Nucl. Instrum. Methods Phys. Res., Sect. B 107, 67 (1996)10.1016/0168-583X(95)00800-4], we present an extension of its validity domain towards lower velocities and larger distortions. Moreover, the system of rate equations is able to take into account ions with up to 60 orbital states of electrons. The computed data from the different new versions of the etacha code are compared to some test collision systems. The improvements made are clearly illustrated by 28.9MeVu-1Pb56+ ions, and laser-generated carbon ion beams of 0.045 to 0.5MeVu-1, passing through carbon or aluminum targets, respectively. Hence, those new developments can efficiently sustain the experimental programs that are currently in progress on the "next-generation" accelerators or laser facilities.Fil: Lamour, E.. Centre National de la Recherche Scientifique; Francia. Universite de Paris; FranciaFil: Fainstein, Pablo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Galassi, Mariel Elisa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Prigent, C.. Centre National de la Recherche Scientifique; Francia. Universite de Paris; FranciaFil: Ramirez, C. A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Rivarola, Roberto Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Rozet, J. P.. Centre National de la Recherche Scientifique; Francia. Universite de Paris; FranciaFil: Trassinelli, M.. Centre National de la Recherche Scientifique; Francia. Universite de Paris; FranciaFil: Vernhet, D.. Centre National de la Recherche Scientifique; Francia. Universite de Paris; Franci

Thermodynamic Framework of Multiscale Homogenization Schemes for Dissipative Materials

The prediction of failure processes in composite, heterogeneous materials require multiscale analysis to account for the complex mechanisms and features taking place. Between the different multiscale schemes the more commonly used are those based on homogenization procedures, due to their versatility. In this work a thermodynamically consistent homogenisation based multiscale approach is formulated for modelling thermo-plastic materials. The proposal is valid for arbitrary multiscale procedures, including local or nonlocal methods, and continuum or discontinuum methods in either scale. The necessary and sufficient conditions for fulfilling the thermodynamic consistency are defined. It is demonstrated that the Hill-Mandel variational criterion for homogenization scheme is a necessary, but not a sufficient condition when dissipative material responses are involved at any scale. On this point, the additional condition that needs to be fulfilled is established. The general case of temperature-dependent, higher order elastoplasticity is considered as theoretical framework to account for the material dissipation at micro and macro scales of observation. Additionally, it is shown that the thermodynamic consistency enforces the homogenization of the nonlocal terms of the micro scale’s free energy density; however, this does not necessarily lead to nonlocal effects on the macro scale. Finally, the particular cases of local isothermal elastoplasticity and continuum damage are considered for the purpose of the proposed approach for multiscale homogenizations.Publicado en: Mecánica Computacional vol. XXXV, no. 23Facultad de Ingenierí

Thermodynamic Framework of Multiscale Homogenization Schemes for Dissipative Materials

The prediction of failure processes in composite, heterogeneous materials require multiscale analysis to account for the complex mechanisms and features taking place. Between the different multiscale schemes the more commonly used are those based on homogenization procedures, due to their versatility. In this work a thermodynamically consistent homogenisation based multiscale approach is formulated for modelling thermo-plastic materials. The proposal is valid for arbitrary multiscale procedures, including local or nonlocal methods, and continuum or discontinuum methods in either scale. The necessary and sufficient conditions for fulfilling the thermodynamic consistency are defined. It is demonstrated that the Hill-Mandel variational criterion for homogenization scheme is a necessary, but not a sufficient condition when dissipative material responses are involved at any scale. On this point, the additional condition that needs to be fulfilled is established. The general case of temperature-dependent, higher order elastoplasticity is considered as theoretical framework to account for the material dissipation at micro and macro scales of observation. Additionally, it is shown that the thermodynamic consistency enforces the homogenization of the nonlocal terms of the micro scale’s free energy density; however, this does not necessarily lead to nonlocal effects on the macro scale. Finally, the particular cases of local isothermal elastoplasticity and continuum damage are considered for the purpose of the proposed approach for multiscale homogenizations.Publicado en: Mecánica Computacional vol. XXXV, no. 23Facultad de Ingenierí

Effect of chemical functionalization on the electrochemical properties of conducting polymers. Modification of polyaniline by diazonium ion coupling and subsequent reductive degradation

The electrochemical properties of polyaniline (PANI) can be altered by coupling the polymer with aryldiazonium ions. The ions are synthesized by diazotization of aromatic primary amines (1-aminoanthraquinone, sulphadiazine and 4-cyanoaniline) bearing functional groups which are then linked to the polyaniline backbone. All materials produced are electroactive, suggesting that the reaction involves coupling of the diazonium ion with the aromatic rings and not nucleophilic substitution by the aminic nitrogen of PANI on the aryl cations. The electrochemical properties of the modified polymers are different to those of PANI, likely due to electronic and steric effects of the attached groups. Reductive degradation of the azo linkages, using dithionite ion, removes the attached moieties leaving primary amino groups attached to the polyaniline backbone. In that way, the effect of the attached groups on the electrochemical properties of PANI is eliminated. FTIR spectroscopy measurement of the different polymers supports the proposed mechanism. Using the method a polymer containing redox (anthraquinone) groups, which could be used for charge storage, is obtained. Additionally a material containing sulphadiazine moieties, which can be released in vivo by bacterial activity, is also produced. The molecule is a well-known sulfa drug with bacteriostatic activity. The reaction sequence seems to be of general application to modify polyanilines, by attaching functional groups, and then to produce a PANI backbone bearing primary amino groups. Evidence is presented on the kinetic control of attached group removal. © 2011 Elsevier Ltd. All rights reserved.Fil: Acevedo, Diego Fernando. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Departamento de Química; Argentina. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Instituto de Investigaciones en Tecnologías Energéticas y Materiales Avanzados. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Tecnologías Energéticas y Materiales Avanzados; ArgentinaFil: Rivarola, Claudia Rosana. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Instituto de Investigaciones en Tecnologías Energéticas y Materiales Avanzados. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Tecnologías Energéticas y Materiales Avanzados; Argentina. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Departamento de Química; ArgentinaFil: Miras, María C.. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Departamento de Química; ArgentinaFil: Barbero, César Alfredo. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Departamento de Química; Argentina. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Instituto de Investigaciones en Tecnologías Energéticas y Materiales Avanzados. - Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Tecnologías Energéticas y Materiales Avanzados; Argentin

Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120.

Multiple-exciton generation-a process in which multiple charge-carrier pairs are generated from a single optical excitation-is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley-Queisser limit. One-dimensional nanostructures, for example nanorods, have been shown spectroscopically to display increased multiple exciton generation efficiencies compared with their zero-dimensional analogues. Here we present solar cells fabricated from PbSe nanorods of three different bandgaps. All three devices showed external quantum efficiencies exceeding 100% and we report a maximum external quantum efficiency of 122% for cells consisting of the smallest bandgap nanorods. We estimate internal quantum efficiencies to exceed 150% at relatively low energies compared with other multiple exciton generation systems, and this demonstrates the potential for substantial improvements in device performance due to multiple exciton generation.NJLKD thanks the Cambridge Commonwealth European and International Trust, Cambridge Australian Scholarships and Mr Charles K Allen for financial support. MLB thanks the German National Academic Foundation (“Studienstiftung”) for financial support. MT thanks the Gates Cambridge Trust, EPSRC and Winton Programme for Sustainability for financial support. F.W.R.R. gratefully thanks financial support from CNPq [Grant number 246050/2012-8]. C.D. acknowledges financial support from the EU [Grant number 312483 ESTEEM2]. This work was supported by the EPSRC [Grant numbers EP/M005143/1, EP/G060738/1, EP/G037221/1] and the ERC [Grant number 259619 PHOTO-EM].This is the final version of the article. It first appeared from Nature Publishing Group via http://dx.doi.org/10.1038/ncomms925

Impact ionization of molecular oxygen by 3.5-MeV/u bare carbon ions

We have measured the absolute double-differential cross sections (DDCSs) for electron emission in ionization of O2 molecules under the impact of 3.5-MeV/u C6+ ions. The data were collected between 10 and 600 eV, in an angular range of 30◦ to 150◦. The single-differential cross sections (SDCSs) in emission angle and electron energy are deduced from the electron DDCS spectra. Also, the total cross section has been obtained from the SDCS spectra. The DDCS spectra as well as the SDCS spectra are compared with continuum distorted-wave eikonal initial-state calculations which employ molecular wave functions built as linear combinations of atomic orbitals. The DDCS ratio i.e. σO2/2σO, derived by dividing the experimental DDCS for molecular oxygen with the theoretical DDCS for atomic oxygen, does not show any primary or secondary oscillations arising from Young-type interference, which is apparently in contrast to what has been observed earlier for H2 and in agreement with the model calculation. Similarly, the forward-backward angular asymmetry increases monotonically with the velocity of the emitted electrons. However, the results on the DDCSs, SDCSs, the asymmetry parameter, and the nonexistence of oscillations are in qualitative agreement with the predictions of the model usedOne of the authors (F.M.) acknowledges the financial support from the MICINN Projects No. FIS2010-15127 and No. CSD 2007- 00010. C.A.T., R.D.R., and F.M. acknowledge the Programa de Cooperación Interuniversitaria e Investigación Científica entre España e Iberoamérica AECID Project No. A2/039631/1

Interference Effects Due to Projectile Target Nucleus Scattering in Single Ionization of H₂ by 75-keV Proton Impact

Doubly differential cross sections (DDCSs) for single ionization of molecular hydrogen by 75-keV proton impact have been measured and calculated as a function of the projectile scattering angle and energy loss. Interference structures are observed in the scattering angular dependence of the DDCSs, which disappear, however, at electron speeds near the projectile speed. The comparison to our calculations shows that the projectile-target nucleus interaction plays a central role. Furthermore, our data suggest that for a given scattering angle, ionization favors well-defined molecular orientations

Ionization induced by protons on isolated molecules of adenine: theory, modelling and experiment

We here report a comparison between semi-empirical and theoretical predictions in terms of differential and total cross sections for proton-induced ionization of isolated adenine molecules. Whereas the first ones are provided by existing analytical models, the second ones are based on two quantum-mechanical models recently developed within the 1st Born and the continuum distorted wave approximation, respectively. Besides, a large set of experimental data is also reported for comparisons. In all kinematical conditions here investigated, we have observed a very good agreement between theory and experiment whereas strong discrepancieswere reported with the semi-empirical models in particular when doubly-differential cross sections are analysed.Fil: Champion, C.. Universite de Bordeaux; FranciaFil: Galassi, Mariel Elisa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); ArgentinaFil: Weck, P. F.. University of Nevada Las Vegas. Department of Chemistry and Harry Reid Center for Environmental Studies; Estados UnidosFil: Abdallah, C.. University Saint Joseph. Faculty of Sciences. Department of Physics; LíbanoFil: Francis, Z.. University Saint Joseph. Faculty of Sciences. Department of Physics; Líbano. The Open University. Faculty of Science. Department of Physical Sciences; Reino UnidoFil: Quinto, M. A.. Universite de Bordeaux; FranciaFil: Fojon, Omar Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); ArgentinaFil: Rivarola, Roberto Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); ArgentinaFil: Hanssen, Jocelyn. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); ArgentinaFil: Iriki, Y.. Kyoto University. Department of Nuclear Engineering; JapónFil: Itoh, A.. Kyoto University. Department of Nuclear Engineering; Japó