Negative Concord in Russian. An Overview

In this article I will describe the general properties of Negative Concord in Russian, which is a strict Negative Concord language, where all negative indefinites must co-occur with sentential negation. However, there are several cases where the negation marker can be absent (like in fragment answers) or can appear in a non-standard position (like at the left of an embedded infinitival). I will take into consideration all these specific cases described by the literature on the negation system of Russian and analyse them according to current approaches to Negative Concord

Proyecto, investigación e innovación en urbanismo, arquitectura y diseño industrial

Actas de congresoLas VII Jornadas de Investigación “Encuentro y Reflexión” y I Jornadas de Investigación de becarios y doctorandos. Proyecto, investigación e innovación en Urbanismo, Arquitectura y Diseño Industrial se centraron en cuatro ejes: el proyecto; la dimensión tecnológica y la gestión; la dimensión social y cultural y la enseñanza en Arquitectura, Urbanismo y Diseño Industrial, sustentados en las líneas prioritarias de investigación definidas epistemológicamente en el Consejo Asesor de Ciencia y Tecnología de esta Universidad Nacional de Córdoba. Con el objetivo de afianzar continuidad, formación y transferencia de métodos, metodología y recursos se incorporó becarios y doctorandos de los Institutos de investigación. La Comisión Honoraria la integraron las tres Secretarias de Investigación de la Facultad, arquitectas Marta Polo, quien fundó y María del Carmen Franchello y Nora Gutiérrez Crespo quienes continuaron la tradición de la buena práctica del debate en la cotidianeidad de la propia Facultad. Los textos que conforman las VII Jornadas son los avances y resultados de las investigaciones realizadas en el bienio 2016-2018.Fil: Novello, María Alejandra. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Repiso, Luciana. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Mir, Guillermo. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Brizuela, Natalia. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Herrera, Fernanda. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Períes, Lucas. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Romo, Claudia. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Gordillo, Natalia. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; ArgentinaFil: Andrade, Elena Beatriz. Universidad Nacional de Córdoba. Facultad de Arquitectura, Urbanismo y Diseño; Argentin

Modélisation des molécules alcalines M2+ immergées dans des agrégats de néon: Structures, propriétés spectroscopiques, dynamiques non-adiabatiques.

The purpose of this thesis is to study the properties of M2+ alkali molecules embedded in neon clusters, by means of numerical simulations. We developped a comprehensive approach in which the electronic structure determination is reduced to a one-electron problem. The electron evolves in a potential modelled by semi-local core polarization potentials. Their parametrization was completed after we performed ab initio calculations of the potential energy curves of MNe and M+Ne dimers. We carry out a classical molecular dynamic, including a nonadiabatic coupling treatment, by means of a surface hopping algorithm. We found equilibrium geometries of the M2+Ne systems, up to the first solvation shell of the molecule. We deduced the static properties of these systems, investigating binding energies, equilibrium distances and optical absorption spectra. Then, we studied the dynamics of these systems, initially promoted to an excited state. We established that photofragmentation yield highly depends on the number of neon atoms and on electronic transition ordering. We observed a cage effect for Li2+Nen systems for n>18. We also performed analysis of product fragment distribution, stabilized molecular states and electronic charge localization in asymmetrical systems.Ce travail de thèse a pour objectif d'étudier les propriétés des molécules de métaux alcalins M2+ immergées dans des agrégats de néon, par le biais de simulations numériques. Nous développons une approche globale dans laquelle la détermination de la structure électronique se réduit à un problème à un électron. Ce dernier évolue dans un potentiel modélisé par des pseudo-potentiels semi-locaux à cœur polarisable. Nous les avons paramétrés après avoir calculé les courbes de potentiel des dimères MNe et M+Ne de manière ab initio. Nous effectuons une dynamique moléculaire classique, en y incorporant un traitement des couplages non-adiabatiques grâce à un algorithme de saut de surface. Nous avons trouvé les géométries d'équilibre des systèmes M2+Nen jusqu'à la première couche de solvatation de la molécule. Nous en avons déduit les propriétés statiques de ces systèmes en examinant les énergies de liaison, les distances d'équilibre, et les spectres optiques d'absorption. Nous avons ensuite étudié la dynamique de ces systèmes placés initialement sur un état excité. Nous avons établi que le taux de photodissociation dépend fortement du nombre d'atomes de néon et de l'ordre des transitions électroniques. Nous avons observé un effet de cage pour les systèmes Li2+Nen à partir de 18 atomes de néon. Nous avons également effectué des analyses sur la distribution des fragments produits, sur les états moléculaires stabilisés, et sur la localisation de la charge dans les systèmes asymétriques

Ground and Excited States Of OH – (H 2 O) n Clusters

International audienceWe present an ab initio study of OH–(H2O)n (n = 1–7) clusters in their lowest three singlet and two triplet electronic states, calculated with the RASPT2 method. Minimum energy structures were obtained by geometry optimization for both (a) the 11Σ+ ground state and (b) the 13Π excited state. From these structures, vertical detachment energies (VDEs), transition energies, and atomic charges were calculated. (a) We found that ground-state geometries present the hydroxide at the surface, accepting three and four H bonds from water. The excess charge is strongly stabilized by water up to a VDE of 6.7 eV for n = 7. Bound singlet excited states for ground-state geometries exist for n ≥ 3, and their VDE increases up to 1 eV for n = 7. (b) The 13Π state equilibrium geometries completely differ from the ground-state geometries. They are characterized by the hydroxide acting as a single H bond donor to a water molecule, which then donates a H-bond to two others, forming a “tree” pattern. All minimum energy structures present this “tree” pattern and a constant total number of 2n – 2 H bonds, or equivalently 3 dangling hydrogens. The excess charge stabilizes from n = 2 and goes mainly at the surface, on the dangling hydrogens of water. An almost neutral OH radical is then formed. Resulting structural resemblances with the neutral system make the VDEs of the first excited states weakly geometry dependent but size sensitive because of additive polarization effects. In contrast, the 11Σ+ state at the 13Π geometries is strongly sensitive to structural patterns. We bring out existing correlations between these patterns and the corresponding 11Σ+ state energy increase, which leads to couplings with excited states and possibly to an inversion of the state energy order. From these assessments, we propose a scenario for recombination of aqueous hydroxide following excitation in a charge-transfer-to-solvent state

Simulation Tools for Atom Probe Tomography : A Path For Diagnosis and Treatment of Image Degradation

The ideal picture of a near-perfect 3D microscope often presented regarding Atom Probe Tomography faces several issues. These issues degrade the metrological performance of the instrument and find their roots in the phenomena acting at the atomic to the mesoscopic level in the vicinity of the surface of a field emitter. From the field evaporation process at the atomic scale, to the macroscopic scale of the instrument, the path to model the imaging process and to develop more accurate and reliable reconstruction algorithms is not a single lane road. This paper focused on the numerical methods used to understand, treat, and potentially heal imaging issues commonly affecting the data in atom probe experiments. A lot of room for improvement exists in solving accuracy problems observed in complex materials by means of purely electrostatic models describing the image formation in a classical approach. Looking at the sample at the atomic scale, the phenomena perturbing the imaging process are subtle. An examination of atomic scale modifications of the sample surface in the presence of a high surface electric field is therefore mandatory. Atomic scale molecular dynamic models integrating the influence of the high surface electric are being developed with this aim. It is also demonstrated that the complex behavior of atoms and molecules in high fields, and consequences on collected data, can be understood through the use of accurate ab-initio models modified to include the impact of the extreme surface electric field.Peer reviewe

CO quantum dynamics diffusion on Cu(1 0 0)

International audienceWe present a quantum mechanical study of the diffusion of CO molecules on the Cu(0 0 1) surface. We use the Strasbourg-Amsterdam-Postdam potential surface and a “non-tunnel”-variant hereof; to mimic an initial state that is localized in one adsorption well, a “local-potential-shift” concept is introduced; the Multi Configuration Time Dependent Hartree method to perform the calculations. Special emphasis is placed on the effect of the dimensionality of the models. Surprisingly, tunneling plays an important role typically 1 ps after the beginning of the dynamics; it dominates at around 1 ns and might, at least partly, explain the long diffusion rates measured experimentally for the system

Does the type of text, affect parent-child behaviour during shared book reading ? A case study in a bilingual family

Background: Shared book reading (SBR) can be identified as, the adult-child interaction which facilitates the active engagement of children in comprehending and responding to a text which is read aloud (Pentimonti et al., 2021). SBR facilitates early literacy skills leading towards becoming a skilled reader and can be promoted in the home and at school (Morris et al., 2021). SBR research has mainly focused on print text, however, with the development of differing technologies, the use of digital text as part of SBR has become a part of the education and family landscape (Bråten et al., 2020).Aims: To examine parent-child behaviour during SBR in print text and in digital textMethods: Video recorded SBR sessions of one parent-child dyad was analysed using pre-defined behaviour types.Results: The immediate talk was frequently occurred among both parent and child. Talk related to features of text type was more significant in print text than digital text. The only behaviour observed in SBR in English with digital text was the talk related to features of digital text made by parent. The child didn’t indicate any pre-defined behaviour during SBR in English digital text.  Conclusions: Parent-child behaviours during SBR in print text, is prominent than in digital text. Raising awareness among parents about the equal importance of the role of both print and digital texts during SBR, leading towards the development of literacy skills is essential

Ground and Excited States Of OH^–(H₂O)_<i>n</i> Clusters

We present an ab initio study of OH^–(H₂O)_<i>n</i> (<i>n</i> = 1–7) clusters in their lowest three singlet and two triplet electronic states, calculated with the RASPT2 method. Minimum energy structures were obtained by geometry optimization for both (a) the 1¹Σ⁺ ground state and (b) the 1³Π excited state. From these structures, vertical detachment energies (VDEs), transition energies, and atomic charges were calculated. (a) We found that ground-state geometries present the hydroxide at the surface, accepting three and four H bonds from water. The excess charge is strongly stabilized by water up to a VDE of 6.7 eV for <i>n</i> = 7. Bound singlet excited states for ground-state geometries exist for <i>n</i> ≥ 3, and their VDE increases up to 1 eV for <i>n</i> = 7. (b) The 1³Π state equilibrium geometries completely differ from the ground-state geometries. They are characterized by the hydroxide acting as a single H bond donor to a water molecule, which then donates a H-bond to two others, forming a “tree” pattern. All minimum energy structures present this “tree” pattern and a constant total number of 2<i>n</i> – 2 H bonds, or equivalently 3 dangling hydrogens. The excess charge stabilizes from <i>n</i> = 2 and goes mainly at the surface, on the dangling hydrogens of water. An almost neutral OH radical is then formed. Resulting structural resemblances with the neutral system make the VDEs of the first excited states weakly geometry dependent but size sensitive because of additive polarization effects. In contrast, the 1¹Σ⁺ state at the 1³Π geometries is strongly sensitive to structural patterns. We bring out existing correlations between these patterns and the corresponding 1¹Σ⁺ state energy increase, which leads to couplings with excited states and possibly to an inversion of the state energy order. From these assessments, we propose a scenario for recombination of aqueous hydroxide following excitation in a charge-transfer-to-solvent state