Search results for " Algebra"
showing 10 items of 2082 documents
Dual attachment pairs in categorically-algebraic topology
2011
[EN] The paper is a continuation of our study on developing a new approach to (lattice-valued) topological structures, which relies on category theory and universal algebra, and which is called categorically-algebraic (catalg) topology. The new framework is used to build a topological setting, based in a catalg extension of the set-theoretic membership relation "e" called dual attachment, thereby dualizing the notion of attachment introduced by the authors earlier. Following the recent interest of the fuzzy community in topological systems of S. Vickers, we clarify completely relationships between these structures and (dual) attachment, showing that unlike the former, the latter have no inh…
The transition state and cognate concepts
2019
Abstract This review aims firstly to clarify the meanings of key terms and concepts associated with the idea of the transition state, as developed by theoreticians and applied by experimentalist, and secondly to provide an update to the meaning and significance of the transition state in an era when computational simulation, in which complexity is being increasingly incorporated, is commonly employed as a means by which to bridge the realms of theory and experiment. The relationship between the transition state and the potential-energy surface for an elementary reaction is explored, with discussion of the following terms: saddle point, minimum-energy reaction path, reaction coordinate, acti…
Codimension growth of central polynomials of Lie algebras
2019
Abstract Let L be a finite-dimensional simple Lie algebra over an algebraically closed field of characteristic zero and let I be the T-ideal of polynomial identities of the adjoint representation of L. We prove that the number of multilinear central polynomials in n variables, linearly independent modulo I, grows exponentially like ( dim L ) n {(\dim L)^{n}} .
Experimental and numerical investigation on a new FSW based metal to composite joining technique
2018
Abstract In the last decades, different techniques were proposed to join aluminum sheets with composites materials. Each of them has advantages and weak points over the others and new techniques and patents are continuously developed to overcome these difficulties. In this paper an experimental and numerical investigation on a new Friction Stir Welding based approach to mechanically join AA6082-T6 to self-reinforced polypropylene is presented. The aluminum sheet is pre-holed along both the sides of the weld line and a pinless tool generates the heat and pressure needed to prompt back-extrusion of the composite. New experimental fixtures and hole designs were investigated in order to enhance…
On the ‘expanded local mode’ approach applied to the methane molecule: isotopic substitution CH2D2←CH4
2011
On the basis of a compilation of the ‘expanded local mode’ model and the general isotopic substitution theory, sets of simple analytical relations between different spectroscopic parameters (harmonic frequencies, ωλ, anharmonic coefficients, x λμ, ro-vibrational coefficients, , different kinds of Fermi- and Coriolis-type interaction parameters) of the CH2D2 molecule are derived. All of them are expressed as simple functions of a few initial spectroscopic parameters of the mother, CH4, molecule. Test calculations with the derived isotopic relations show that, in spite of a total absence of initial information about the CH2D2 species, the numerical results of the calculations have a very good…
Introducing Memory in Coarse-Grained Molecular Simulations
2021
[Image: see text] Preserving the correct dynamics at the coarse-grained (CG) level is a pressing problem in the development of systematic CG models in soft matter simulation. Starting from the seminal idea of simple time-scale mapping, there have been many efforts over the years toward establishing a meticulous connection between the CG and fine-grained (FG) dynamics based on fundamental statistical mechanics approaches. One of the most successful attempts in this context has been the development of CG models based on the Mori–Zwanzig (MZ) theory, where the resulting equation of motion has the form of a generalized Langevin equation (GLE) and closely preserves the underlying FG dynamics. In…
Elucidating the Influence of the Activation Energy on Reaction Rates by Simulations Based on a Simple Particle Model
2020
An application for visualizing the dynamic properties of an equimolar binary mixture of isotropic reactive particles is presented. By introducing a user selectable choice for the activation energy, the application is useful to demonstrate qualitatively that the reaction rate depends on the above choice and on temperature. The application is based on a 2D realistic dynamic model where atoms move because of their thermal energies and the trajectories are determined by solving numerically Newton’s laws according to a Molecular Dynamics (MD) scheme. Collisions are monitored as time progresses, and every time the collision energy is larger than the selected activation energy, a reactive event oc…
Efficient and simple synthesis of novel 1,2,3-triazolyl-linked benzimidazolone, molecular docking and evaluation of their antimicrobial activity
2020
In this study, a novel series of 1,2,3-triazolyl-benzimidazolone derivatives have been synthesized by click reaction of azides with benzimidazolones 2a–b. The latter compounds were prepared with excellent yields (85–97%), the structures of products were determined by spectral analysis. Then, the X-rays crystallographic analysis of compound 7a revealed the self-assembling properties. The new heterocycles were evaluated for their in vitro antimicrobial activities against Gram-positive and Gram-negative bacteria and against fungi strains. The most tested synthesized compounds showed potent antibacterial and antifungal activities against all tested strains. The compound 6c was found to be the m…
Developmental aspects of morphological disparity dynamics: a simple analytical exploration
2011
15 pages; International audience; We devised a simple model for assessing the role of development in shaping the evolution of morphological disparity. Disparity of a clade at any given time is expressed in terms of the developmental dynamics that lead to the variety of adult morphotypes observed. We use assumed phenotypic manifestations of developmental processes, as they could be detected from allometric characterizations, to distinguish a few, nonexclusive types of evolutionary changes in ontogeny. On the basis of this formalization, we describe the diversification of hypothetical clades, using the standard curve of adult morphological disparity, the curve of juvenile disparity, and the c…
Survival and gene expression under different temperature and humidity regimes in ants
2017
Short term variation in environmental conditions requires individuals to adapt via changes in behavior and/or physiology. In particular variation in temperature and humidity are common, and the physiological adaptation to changes in temperature and humidity often involves alterations in gene expression, in particular that of heat-shock proteins. However, not only traits involved in the resistance to environmental stresses, but also other traits, such as immune defenses, may be influenced indirectly by changes in temperature and humidity. Here we investigated the response of the ant F. exsecta to two temperature regimes (20 degrees C & 25 degrees C), and two humidity regimes (50% & 75%), for…