Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices

Several definitions of an atom in a molecule (AIM) in three-dimensional (3D) space, including both fuzzy and disjoint domains, are used to calculate electron sharing indices (ESI) and related electronic aromaticity measures, namely, Iringand multicenter indices (MCI), for a wide set of cyclic planar aromatic and nonaromatic molecules of different ring size. The results obtained using the recent iterative Hirshfeld scheme are compared with those derived from the classical Hirshfeld method and from Bader's quantum theory of atoms in molecules. For bonded atoms, all methods yield ESI values in very good agreement, especially for C-C interactions. In the case of nonbonded interactions, there are relevant deviations, particularly between fuzzy and QTAIM schemes. These discrepancies directly translate into significant differences in the values and the trends of the aromaticity indices. In particular, the chemically expected trends are more consistently found when using disjoint domains. Careful examination of the underlying effects reveals the different reasons why the aromaticity indices investigated give the expected results for binary divisions of 3D spaceM.S. is grateful for the nancial help furnished by the Spanish MICINN Project No. CTQ2008-03077/BQU and by the Catalan DIUE through project No. 2009SGR63

A Precision Measurement of pp Elastic Scattering Cross Sections at Intermediate Energies

We have measured differential cross sections for \pp elastic scattering with internal fiber targets in the recirculating beam of the proton synchrotron COSY. Measurements were made continuously during acceleration for projectile kinetic energies between 0.23 and 2.59 GeV in the angular range $30 \leq \theta_{c.m.} \leq 90$ deg. Details of the apparatus and the data analysis are given and the resulting excitation functions and angular distributions presented. The precision of each data point is typically better than 4%, and a relative normalization uncertainty of only 2.5% within an excitation function has been reached. The impact on phase shift analysis as well as upper bounds on possible resonant contributions in lower partial waves are discussed.Comment: 23 pages 29 figure

Neutrosophic Rings I

In this paper, we present some elementary properties of neutrosophic rings. The structure of neutrosophic polynomial rings is also presented. We provide answers to the questions raised by Vasantha Kandasamy and Florentin Smarandache in [1] concerning principal ideals, prime ideals, factorization and Unique Factorization Domain in neutrosophic polynomial rings

The moduli space of matroids

In the first part of the paper, we clarify the connections between several algebraic objects appearing in matroid theory: both partial fields and hyperfields are fuzzy rings, fuzzy rings are tracts, and these relations are compatible with the respective matroid theories. Moreover, fuzzy rings are ordered blueprints and lie in the intersection of tracts with ordered blueprints; we call the objects of this intersection pastures. In the second part, we construct moduli spaces for matroids over pastures. We show that, for any non-empty finite set $E$, the functor taking a pasture $F$ to the set of isomorphism classes of rank-$r$ $F$-matroids on $E$ is representable by an ordered blue scheme $Mat(r,E)$, the moduli space of rank-$r$ matroids on $E$. In the third part, we draw conclusions on matroid theory. A classical rank-$r$ matroid $M$ on $E$ corresponds to a $\mathbb{K}$-valued point of $Mat(r,E)$ where $\mathbb{K}$ is the Krasner hyperfield. Such a point defines a residue pasture $k_M$, which we call the universal pasture of $M$. We show that for every pasture $F$, morphisms $k_M\to F$ are canonically in bijection with $F$-matroid structures on $M$. An analogous weak universal pasture $k_M^w$ classifies weak $F$-matroid structures on $M$. The unit group of $k_M^w$ can be canonically identified with the Tutte group of $M$. We call the sub-pasture $k_M^f$ of $k_M^w$ generated by ``cross-ratios' the foundation of $M$,. It parametrizes rescaling classes of weak $F$-matroid structures on $M$, and its unit group is coincides with the inner Tutte group of $M$. We show that a matroid $M$ is regular if and only if its foundation is the regular partial field, and a non-regular matroid $M$ is binary if and only if its foundation is the field with two elements. This yields a new proof of the fact that a matroid is regular if and only if it is both binary and orientable.Comment: 83 page

Case Based Reasoning for Chemical Engineering Design

With current industrial environment (competition, lower profit margin, reduced time to market, decreased product life cycle, environmental constraints, sustainable development, reactivity, innovation…), we must decrease the time for design of new products or processes. While the design activity is marked out by several steps, this article proposed a decision support tool for the preliminary design step. This tool is based on the Case Based Reasoning (CBR) method. This method has demonstrated its effectiveness in other domains (medical, architecture…) and more recently in chemical engineering. This method, coming from Artificial Intelligence, is based on the reusing of earlier experiences to solve new problems. The goal of this article is to show the utility of such method for unit operation (for example) pre-design but also to propose several evolutions for CBR through a domain as complex as the chemical engineering is (because of its interactions, non linearity, intensification problems…). During the pre-design step, some parameters like operating conditions are not precisely known but we have an interval of possible values, worse we only have a partial description of the problem.. To take into account this imprecision in the problem description, the CBR method is coupled with the fuzzy sets theory. After a mere presentation of the CBR method, a practical implementation is described with the choice and the pre-design of packing for separation columns

Visual Distortions Near a Neutron Star and Black Hole

The visual distortion effects visible to an observer traveling around and descending to the surface of an extremely compact star are described. Specifically, trips to a ``normal" neutron star, a black hole, and an ultracompact neutron star with extremely high surface gravity, are described. Concepts such as multiple imaging, red- and blue-shifting, conservation of surface brightness, the photon sphere, and the existence of multiple Einstein rings are discussed in terms of what the viewer would see. Computer generated, general relativistically accurate illustrations highlighting the distortion effects are presented and discussed. A short movie (VHS) depicting many of these effects is available to those interested free of charge.Comment: 23 pages, Plain TeX (v. 3.0), figures in American Journal of Physics, 61, 619, 1993, video available upon written (hard copy) request onl

State-space Correlations and Stabilities

The state-space pair correlation functions and notion of stability of extremal and non-extremal black holes in string theory and M-theory are considered from the viewpoints of thermodynamic Ruppeiner geometry. From the perspective of intrinsic Riemannian geometry, the stability properties of these black branes are divulged from the positivity of principle minors of the space-state metric tensor. We have explicitly analyzed the state-space configurations for (i) the two and three charge extremal black holes, (ii) the four and six charge non-extremal black branes, which both arise from the string theory solutions. An extension is considered for the $D_6$-$D_4$-$D_2$-$D_0$ multi-centered black branes, fractional small black branes and two charge rotating fuzzy rings in the setup of Mathur's fuzzball configurations. The state-space pair correlations and nature of stabilities have been investigated for three charged bubbling black brane foams, and thereby the M-theory solutions are brought into the present consideration. In the case of extremal black brane configurations, we have pointed out that the ratio of diagonal space-state correlations varies as inverse square of the chosen parameters, while the off diagonal components vary as inverse of the chosen parameters. We discuss the significance of this observation for the non-extremal black brane configurations, and find similar conclusion that the state-space correlations extenuate as the chosen parameters are increased.Comment: 35 pages, Keywords: Black Hole Physics, Higher-dimensional Black Branes, State-space Correlations and Statistical Configurations. PACS numbers: 04.70.-s Physics of black holes; 04.70.Bw Classical black holes; 04.70.Dy Quantum aspects of black holes, evaporation, thermodynamics; 04.50.Gh Higher-dimensional black holes, black strings, and related object