pinecone/core-2020-05-10-deduplication huggingface dataset:
Accurate DMBE Potential Energy Surface For the N(2D) + H2(1S g+ ) Reaction Using an Improved Switching Function Formalism

Abstract  A single-sheeted double many-body expansion (DMBE) potential energy surface is reported for the 1 2 A'' state of NH2. To approximate its true multi-sheeted nature, a novel switching function that imposes the correct behavior at the H2(X 1S g +)+ N(2 D) and NH(X 3S-) + H(2 S) dissociation limits has been suggested. The new DMBE form is shown to fit with high accuracy an extensive set of new ab initio points (calculated at the multi-reference configuration interaction level using the full valence complete active space as reference and aug-cc-pVQZ and aug-cc-pV5Z basis sets) that have been semiempirically corrected at the valence regions by scaling the n-body dynamical correlation terms such as to account for the finite basis set size and truncated configuration interaction expansion. A detailed study of the N(2 D) ... H2(X 1S g +) van der Waals region has also been carried out. These calculations predict a nearly free rigid-rotor with two shallow van der Waals wells of C 2v  and C 8 v  symmetries. Such a result contrasts with previous cc-pVTZ calculations which predict a single T-shaped van der Waals structure. Except in the vicinity of the crossing seam, which is replaced by an avoided intersection, the fit shows the correct physical behavior over the entire configurational space. The topographical features of the new DMBE potential energy surface are examined in detail and compared with those of other potential functions available in the literature. Amongst such features, we highlight the barrier for linearization (11,802 cm-1) which is found to overestimate the most recent empirical spectroscopic estimate by only 28 cm-1. Additionally, the T-shaped N(2 D) ... H2 van der Waals minimum is predicted to have a well depth of 90 cm-1, being 11 cm-1 deeper than the C 8 v  minimum. The title DMBE form is therefore recommendable for dynamics studies of both non-reactive and reactive N(2 D)+H2 collisions.http://dx.doi.org/10.1007/s00214-006-0092-
Spatial assessment and redesign of a groundwater quality monitoring network using entropy theory, Gaza Strip, Palestine

Abstract  Using entropy theory, a methodology was developed for the evaluation and redesign of groundwater quality monitoring wells in the Gaza Strip in Palestine. Essential to the methodology is the development of a Transinformation Model (TM) which yields the amount of information transfer and the dependency between the wells as a function of distance. The TM parameters, such as the minimum transinformation and the range, were employed for evaluating the network which revealed that most of the distances between wells were less than the range. It also indicated that a high percentage of redundant information existed in the network. Therefore, the network was reduced by superimposing a square pattern over the monitored area and selecting one well per square block in a stratified pattern. The methodology was tested using the chloride data collected from 1972–2000 from 417 groundwater quality monitoring wells in the Gaza Strip. The number of the groundwater quality monitoring wells in the Gaza Strip was reduced by 53%, while there was 26% redundant information based on the minimum existing distance between wells. This methodology is meant to help monitor the groundwater quality (salinity) in the Gaza Strip.http://dx.doi.org/10.1007/s10040-005-0464-
Acute Toxicity of Atrazine, Endosulfan Sulphate and Chlorpyrifos to  Vibrio fischeri ,  Thamnocephalus platyurus and  Daphnia magna, Relative to Their Concentrations in Surface Waters from the Alentejo Region of Portugal

Abstract  Ecotoxicological effects of the herbicide atrazine and the insecticides endosulfan sulphate and chlorpyrifos were evaluated using a test battery comprising aquatic organisms from different trophic levels. According to the categories established in the EU legislation, atrazine can be considered non-harmful for the species tested, while the insecticides can be considered very toxic for the crustaceans. The results of acute toxicity tests showed that the sensitivity of organisms were as follows: Thamnocephalus platyurus &gt; Daphnia magna &gt; Vibrio fischeri. Chlorpyrifos may act as a toxic compound in the aquatic environment of Guadiana River, as it may be detected in water at levels that promote toxic effects.http://dx.doi.org/10.1007/s00128-008-9517-
Separated and Connected Maps

Using on the one hand closure operators in the sense of Dikranjan and Giuli and on the other hand left- and right-constant subcategories in the sense of Herrlich, Preuß, Arhangel'skii and Wiegandt, we apply two categorical concepts of connectedness and separation/disconnectedness to comma categories in order to introduce these notions for morphisms of a category and to study their factorization behaviour. While at the object level in categories with enough points the first approach exceeds the second considerably, as far as generality is concerned, the two approaches become quite distinct at the morphism level. In fact, left- and right-constant subcategories lead to a straight generalization of Collins' concordant and dissonant maps in the category $$\mathcal{T}op$$ of topological spaces. By contrast, closure operators are neither able to describe these types of maps in $$\mathcal{T}op$$, nor the more classical monotone and light maps of Eilenberg and Whyburn, although they give all sorts of interesting and closely related types of maps. As a by-product we obtain a negative solution to the ten-year-old problem whether the Giuli–Hušek Diagonal Theorem holds true in every decent category, and exhibit a counter-example in the category of topological spaces over the 1-sphere.http://dx.doi.org/10.1023/A:100863661584
Modelling of Magnetron Sputtering of Tungsten Oxide with Reactive Gas Pulsing

Reactive sputtering is one of the most commonly employed processes for the deposition of thin films. However, the range of applications is limited by inherent instabilities, which necessitates the use of a complex feedback control of reactive gas (RG) partial pressure. Recently pulsing of the RG has been suggested as a possible alternative. In this report, the concept of periodically switching the RG flow between two different values is applied to the deposition of tungsten oxide. The trends in the measured time dependent RG pressure and discharge voltage are reproduced by a dynamical model developed for this process. Furthermore, the model predicts the compositional depth profile of the deposited film reasonably well, and in particular helps to understand the formation of the interfaces in the resulting multi-layer film.http://dx.doi.org/10.1002/ppap.20073130
Combined vibrational, structural, elemental and Mössbauer spectroscopic analysis of natural phillipsite (zeolite) from historical eruptions in Tenerife, Canary Islands: Implication for Mars

The outcrop of “Las Arenas” volcano in Tenerife, Canary Islands (Spain) has been presented as Terrestrial volcanic
analog for ancient Mars, showing a great variety of alteration processes and interesting mineralogy. The
current analysis has been done by means of measurement techniques used or proposed on Martian studies. The
new analysis of the zeolite has been carried out using Raman spectroscopy, Mössbauer spectroscopy, X-ray
diffraction (XRD), Infrared spectroscopy, Laser induced breakdown spectroscopy and Scanning electron microscopy
(SEM-EDX). The zeolite has been carefully analyzed using vibrational spectroscopy and it has been
identified as Ca-phillipsite. The other techniques support and confirm the results. The measurements and results
using the Raman Laser Spectrometer (RLS) simulator system show the capabilities RLS system in the ESA Exo-
Mars mission. The chemometrical methods for the vibrational mineral detection show the advantages of Raman
spectroscopy to understand the possible geological context. Furthermore, the proposed diagenesis and formation
of the zeolites in southern part of Tenerife island have been confirmed by the twin space prototypes used. A new
hypothesis about the origin for the special case of “Las Arenas” volcano Ca-phillipsite has been proposed. Finally,
a multi-complementary comparison among the different techniques used on the current studie has been done
and, also an analogy with the next space mission has been established. These analyses emphasize the strength of
the different techniques and the working synergy of the different techniques together for planetary space missions
Electromagnetic Dissociation of Nuclei in Heavy-Ion Collisions

Large discrepancies have been observed between measured Electromagnetic Dissociation(ED) cross sections and the predictions of the semiclassical Weiz\"acker-Williams-Fermi(WWF) method. In this paper, the validity of the semiclassical approximation is examined. The total cross section for electromagnetic excitation of a nuclear target by a spinless projectile is calculated in first Born approximation, neglecting recoil. The final result is expressed in terms of correlation functions and convoluted densities in configuration space. The result agrees with the WWF approximation to leading order(unretarded electric dipole approximation), but the method allows an analytic evaluation of the cutoff, which is determined by the details of the electric dipole transition charge density. Using the Goldhaber-Teller model of that density, and uniform charge densities for both projectile and target, the cutoff is determined for the total cross section in the nonrelativistic limit, and found to be smaller than values currently used for ED calculations. In addition, cross sections are calculated using a phenomenological momentum space cutoff designed to model final state interactions. For moderate projectile energies, the calculated ED cross section is found to be smaller than the semiclassical result, in qualitative agreement with experiment
Identifying and remeshing contact interfaces in a polyhedral assembly for digital mock-up applications

Polyhedral models are widely used for applications such as manufacturing, digital simulation or visualization. They are discrete models; easy to store, to manipulate, allowing levels of resolution for visualization. They can be easily exchanged between CAD systems without loss of data. Previous works (Comput Aided Des 29(4):287–298, 1997, Comput Graphics 22(5):565–585, 1998) have focused on simplification process applied to polyhedral part models. The goal of the proposed approach is to extend these processes to polyhedral assembly models, describing the digital mock-up of a future manufacturing product. To apply simplification techniques or other processes on polyhedral assemblies, contact surfaces between interacting objects have to be identified and specific constraints must be applied for processing. The approach proposed allows checking and maintaining a global consistency of the assembly model to ensure the reliability of the future processes. Thus, contacts between objects are detected using an approach that works for a static configuration of the assembly. Finally, a precise detection of the faces involved in each contact area is made and the resulting input domains identified are processed using a local Frontal Delaunay re-meshing technique to produce an identical tessellation on both objects involved in the processed contact. The quality of the triangulation produced is also checked
A multi-scale approach for the optimum design of sandwich plates with honeycomb core. Part II: the optimisation strategy

This work deals with the problem of the optimum design of a sandwich panel. The design strategy that we propose is a numerical optimisation procedure that does not make any simplifying assumption to obtain a true global optimum configuration of the system. To face the design of the sandwich structure at both meso and macro scales, we use a two-level optimisation strategy: at the first level we determine the optimal geometry of the unit cell of the core together with the material and geometric parameters of the laminated skins, while at the second level we determine the optimal skins lay-up giving the geometrical and material parameters issued from the first level. The two-level strategy relies both on the use of the polar formalism for the description of the anisotropic behaviour of the laminates and on the use of a genetic algorithm as optimisation tool to perform the solution search. To prove its effectiveness, we apply our strategy to the least-weight design of a sandwich plate, satisfying several constraints: on the first buckling load, on the positive-definiteness of the stiffness tensor of the core, on the ratio between skins and core thickness and on the admissible moduli for the laminated skins
Growth of isotopically enriched ZnO nanorods of excellent optical quality

We have produced isotopically enriched ZnO nanorods using Zn-enriched ZnO source powder by vapour phase transport on silicon substrates buffer-coated with unenriched ZnO seed layers.  SEM and XRD data confirm successful growth of high quality, dense, c-axis aligned nanorods over a substantial surface area.   Raman data show a shift of >1 cm-1 in the peak position of the Raman scattered peaks due to the E2low and E2high phonon modes when the Zn isotope is changed from 64Zn to 68Zn, consistent with previous work, thus confirming successful isotopic enrichment. SIMS data provides additional confirmation of enrichment. The optical quality (as determined by photoluminescence feature intensity and linewidth) is excellent.  Samples with Zn isotopic enrichment ranging from 64ZnO to 68ZnO display a shift in recombination energy of the bound excitons at the band edge (3.34 - 3.37 eV) of ~ 0.6 meV.  This blue shift is also consistent with previously published data, further confirming both the excellent optical quality and successful isotopic substitution of ZnO nanorods using this relatively simple growth method
Understanding personality differences in software organizations using Keirsey Temperament Sorter

In recent years, there has been an increasing interest in exploring personality differences to improve work experience in software organisations. This study presents a personality assessment process conducted on 382 software practitioners using the Keirsey temperament sorter II. The primary goal of this assessment is to explore the personality temperaments of software practitioners working in different types of software development organisations. In addition, a novel visualisation approach is proposed for arranging temperaments using a periodic table-like structure. The results suggest that the authors approach provides an effective means to investigate an organisation's personality profile while assessing personality types
Multiequilibrium Game of Timing and Competition of Gas Pipeline Projects

The paper addressed the issue of the optimal investments in innovations with strong long-term aftereffects. As an example, investments in the construction of gas pipelines are considered. The most sensitive part of an investment project is the choice of commercialization time (stopping time), i.e., the time of finalizing the construction of the pipeline. If several projects compete in the market, the choices of the commercialization times determine the future structure of the market and thus become specially important. Rational decisions in this respect can be associated with Nash equilibria in a game between the projects. In this game, the total benefits gained during the pipelines life periods act as payoffs and the commercialization times as strategies. The goal of this paper is to characterize multiequilibria in the game of timing. The case of two players is studied in detail. A key point in the analysis is the observation that, for all players, the best response commercialization times concentrate at two instants that are fixed in advance. This reduces decisionmaking to choosing between two fixed investment policies (fast and slow) with the prescribed commercialization times. A description of a simple algorithm that finds all the Nash equilibria composed of fast and slow scenarios concludes the paper
Two-Loop QCD correction to massive spin-2 resonance → 3 gluons

We present the $ \mathcal{O}\left( {\alpha_s^3} \right) $ virtual QCD corrections to the process h → g + g + g due to interference of born and two-loop amplitudes, where h is a massive spin-2 particle and g is the gluon. We assume that the SM fields couple to h through the SM energy momentum tensor. Our result constitutes one of the ingredients to full NNLO QCD contribution to production of a massive spin-2 particle along with a jet in the scattering process at the LHC. In particular, this massive spin-2 could be a KK mode of a ADD graviton in large extra dimensional model or a RS KK mode in warped extra dimensional model or a generic massive spin-2. In addition, it provides an opportunity to study the ultraviolet and infrared structures of QCD amplitudes involving tensorial coupling resulting from energy momentum operator. Using dimensional regularization, we find that infrared poles of this amplitude are in agreement with the proposal by Catani confirming the factorization property of QCD amplitudes with tensorial insertion
Phase transition in tensor models

Generalizing matrix models, tensor models generate dynamical triangulations in any dimension and support a 1/ N expansion. Using the intermediate field representation we explicitly rewrite a quartic tensor model as a field theory for a fluctuation field around a vacuum state corresponding to the resummation of the entire leading order in 1/ N (a resummation of the melonic family). We then prove that the critical regime in which the continuum limit in the sense of dynamical triangulations is reached is precisely a phase transition in the field theory sense for the fluctuation field
Effects of thermal fluctuations on thermal inflation

The mechanism of thermal inflation, a relatively short period of accelerated expansion after primordial inflation, is a desirable ingredient for a certain class of particle physics models if they are not to be in contention with the cosmology of the early Universe. Though thermal inflation is most simply described in terms of a thermal effective potential, a thermal environment also gives rise to thermal fluctuations that must be taken into account.  We numerically study the effects of these thermal fluctuations using lattice simulations.  We conclude that though they do not ruin the thermal inflation scenario, the phase transition at the end of thermal inflation proceeds through phase mixing  and is therefore not accompanied by the formations of bubbles nor appreciable amplitude of gravitational waves
Observing Ultra High Energy Cosmic Particles from Space: SEUSO, the
  Super Extreme Universe Space Observatory Mission

The experimental search for ultra high energy cosmic messengers, from $E\sim
10^{19}$ eV to beyond $E\sim 10^{20}$ eV, at the very end of the known energy
spectrum, constitutes an extraordinary opportunity to explore a largely unknown
aspect of our universe. Key scientific goals are the identification of the
sources of ultra high energy particles, the measurement of their spectra and
the study of galactic and local intergalactic magnetic fields. Ultra high
energy particles might, also, carry evidence of unknown physics or of exotic
particles relics of the early universe. To meet this challenge a significant
increase in the integrated exposure is required. This implies a new class of
experiments with larger acceptances and good understanding of the systematic
uncertainties. Space based observatories can reach the instantaneous aperture
and the integrated exposure necessary to systematically explore the ultra high
energy universe. In this paper, after briefly summarising the science case of
the mission, we describe the scientific goals and requirements of the SEUSO
concept. We then introduce the SEUSO observational approach and describe the
main instrument and mission features. We conclude discussing the expected
performance of the mission
Integrated parentheticals in quotations and free indirect discourse

In this chapter I consider the syntactic properties of a particular kind of parentheticals, those introducing Quotations – henceforth, QU – and Free Indirect Discourse – henceforth, FID. \ud
Consider the following examples: (1) I will leave tomorrow, said John (2) The new ration did not start till tomorrow and he had only four cigarettes left, thought Winston (adapted, from Orwell 1984). Example (1) is a QU structure and the parenthetical in question is said John. \ud
Example (2) is a FID construction and the parenthetical is thought Winston. As already well known, they have special properties from an interpretive, syntactic and phonological point of view. QU and FID parentheticals are alike under many points of view, even if the two constructions must be kept separate, especially with respect to the interpretation of pronouns and verbal forms. For the purposes of this work, I will in general consider them alike. \ud
Observe now the following paradigm: (3) John said that Mary left (4) John said: “Mary left” (5) Maria, said John, left.\ud
 It seems to me that the most important goal for a syntactic analysis is to provide a coherent analysis of the similarities and differences among the constructions in (3)- (5). At first sight, these structures seem very much alike, both from the point of view of their meaning and their syntax – to the extent that some scholars have proposed a direct syntactic derivation (Emonds 1973; Ross 1973), for instance of (5) starting from (3). I will show here that the situation is indeed much more complex than that. In particular, in this paper I show that example (5) is closer to (4) than to (3). The approach I will develop here is an integrated view of parentheticals, complying with Kayne’s (1994) Linear Correspondence Axiom (LCA)
Precision measurements with LPCTrap at GANIL

International audienceThe experimental achievements and the results obtained so far with the LPCTrap device installed at GANIL are presented. The apparatus is dedicated to the study of the weak interaction at low energy by means of precise measurements of the – angular correlation parameter in nuclear  decays. So far, the data collected with three isotopes have enabled to determine, for the first time, the charge state distributions of the recoiling ions, induced by shakeoff process. The analysis is presently refined to deduce the correlation parameters, with the potential of improving both the constraint deduced at low energy on exotic tensor currents (6 He 1+) and the precision on the V ud element of the quark-mixing matrix (35 Ar 1+ and 19 Ne 1+) deduced from the mirror transitions dataset
The role of superfluidity in nuclear incompressibilities

5 pagesInternational audienceNuclei are propitious tools to investigate the role of the superfluidity in the compressibility of a Fermionic system. The centroid of the Giant Monopole Resonance (GMR) in Tin isotopes is predicted using a constrained Hartree-Fock Bogoliubov approach, ensuring a full self-consistent treatment. Superfluidity is found to favour the compressibitily of nuclei. Pairing correlations explain why doubly magic nuclei such as $^{208}$Pb are stiffer compared to open-shell nuclei. Fully self-consistent predictions of the GMR on an isotopic chain should be the way to microscopically extract both the incompressibility and the density dependence of a given energy functional. The macroscopic extraction of K$_{sym}$, the asymmetry incompressibility, is questioned. Investigations of the GMR in unstable nuclei are called for. Pairing gap dependence of the nuclear matter incompressibility should also be investigated