Search results for "COMPUTATION"
showing 10 items of 7362 documents
Mechanobiological computational model for the development and formation of synovial joints
2019
El desarrollo de las articulaciones sinoviales se debe a diferentes factores genéticos, bioquímicos y mecánicos. Comienza en el brote de las extremidades, que tienen una masa ininterrumpida de células mesenquimales dentro de su núcleo, el blastema esquelético. La mayoría de estas células blastemales se diferencian en condrocitos; sin embargo, algunas de estas células permanecen, sin diferenciar, en el sitio de la futura articulación (interzona). La separación de los rudimentos ocurre con el proceso de cavitación dentro de la interzona. Después de la cavitación, se produce la morfogénesis articular y el hueso toma su forma final. Una vez finalizado el período embrionario, la articulación sin…
D3 Dihedral Logistic Map of Fractional Order
2021
In this paper, the D3 dihedral logistic map of fractional order is introduced. The map presents a dihedral symmetry D3. It is numerically shown that the construction and interpretation of the bifurcation diagram versus the fractional order requires special attention. The system stability is determined and the problem of hidden attractors is analyzed. Furthermore, analytical and numerical results show that the chaotic attractor of integer order, with D3 symmetries, looses its symmetry in the fractional-order variant.
Conformations and Energetics of Sulfur and Selenium Diimides
2003
The geometries and energetics of different conformations of sulfur and selenium diimides E(NR) 2 (E = S, Se; R = H, Me, 'Bu, C 6 H 3 Me 2 -2,6, SiMe 3 ) have been studied by using various ab initio and DFT molecular orbital techniques. The syn,syn conformation is found to be most stable for parent E(NH) 2 , but in general, the preferred molecular conformation for substituted chalcogen diimides is syn,anti. In the case of E(NH) 2 the present calculations further confirm that syn,syn and syn,anti conformations lie energetically close to each other. From the three different theoretical methods used, B3PW91/6.31G * proved to be the most suitable method for predicting the geometries of chalcogen…
Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine-fluorine interactions.
2017
Simple ML2 [M = Fe(II), Co(II), Ni(II)] complexes obtained from a perfluoroalkylamide derivative of 4-aminophenyl-2,2′,6,2′-terpyridine spontaneously, yet anion selectively, self-assemble into gels, which manifest an unprecedented rapid gel strength recovery, viz. self-healing, and thermal rearrangement in aqueous dimethyl sulfoxide. The key factor for gelation and rheological properties emerges from the fluorine–fluorine interactions between the perfluorinated chains, as the corresponding hydrocarbon derivative did not form metallogels. The perfluoro-terpyridine ligand alone formed single crystals, while its Fe(II), Co(II) or Ni(II) complexes underwent rapid gelation leading to highly enta…
Experimental and computational studies of unconventional main group compounds : stable radicals and reactive intermediates
2017
Ever since their discovery, radicals have intrigued the minds of experimental and theoretical chemists alike. While the vast majority of radicals are transient species, a large number of stable and persistent radicals are also known. This has enabled the use of radicals in different applications. For example, radicals are highly useful in chemical synthesis due to their selectivity and functional group tolerance. Detailed knowledge of the electronic structure of synthetic intermediates, both radical and non-radical, enables chemists to improve existing synthesis routes and to design completely new ones. This thesis is divided into two parts. The first part begins with an introduction to the…
Convergent results from experimental and theoretical DFT studies of the intramolecular rearrangement of Z-hydrazones of 3-acetyl-1,2,4-oxadiazoles
2004
A combined kinetic and theoretical study of the monocyclic rearrangements of heterocycles (MRH) has been carried out. The interconversion of the Z-hydrazone of 3-benzoyl-5-phenyl-1,2,4-oxadiazole into the corresponding triazole has been experimentally investigated in dioxane/water in the pS(+) range 5.5(5)-13.9. The uncatalyzed region has been examined at the DFT level using a model system formed by the Z-hydrazone of 3-formyl-1,2,4-oxadiazole and one or two water molecules. The environmental effect of the solvent has been emulated using a continuum model (COSMO) approach. The kinetic data suggest a concerted process where the magnitude of the activation barrier is determined by the interpl…
Theory languages in designing artificial intelligence
2023
The foundations of AI design discourse are worth analyzing. Here, attention is paid to the nature of theory languages used in designing new AI technologies because the limits of these languages can clarify some fundamental questions in the development of AI. We discuss three types of theory language used in designing AI products: formal, computational, and natural. Formal languages, such as mathematics, logic, and programming languages, have fixed meanings and no actual-world semantics. They are context- and practically content-free. Computational languages use terms referring to the actual world, i.e., to entities, events, and thoughts. Thus, computational languages have actual-world refer…
Potential and challenges in home care service process optimization : a route optimization approach
2016
Aging of the population is an increasing problem in many countries, including Finland, and it poses a challenge to public services such as home care. Vehicle routing optimization (VRP) type optimization solutions are one possible way to decrease the time required for planning home visits and driving to customer addresses, as well as decreasing transportation costs. Although VRP optimization is widely and succesfully applied to commercial and industrial logistics, the home care is a relatively new application area for it. This thesis examines what kind of distance and time savings would be possible to achieve if daily home care operations are optimized in the similar manner as typical VRP op…
Zastosowanie CFD w ocenie drożności górnych dróg oddechowych
2016
Obliczeniowa dynamika płynów (CFD) to szybko rozwijająca się dziedzina nauki, mająca szereg zastosowań praktyc - znych. Od lat używana jest w aerodynamice, inżynierii, hydraulice, meteorologii, budownictwie oraz wielu innych dziedz - inach. Pierwsze publikacje dotyczące użycia CFD w medycynie dotyczyły przede wszystkim pulmonologii i kardiologii, czyli dziedzin, w których dynamiczne właściwości gazu i płynu odgrywają ważną rolę w prawidłowym funkcjonowa - niu organizmu. W laryngologii CFD umożliwia pomiar oraz wizualizację dynamicznie zmieniających się parametrów przepływu powietrza w górnych drogach oddechowych.
Modelling landslides in unsaturated slopes subjected to rainfall infiltration using material point method
2016
This paper presents a dynamic fully coupled formulation for saturated and unsaturated soils that undergo large deformations based on material point method. Governing equations are applied to porous material while considering it as a continuum in which the pores of the solid skeleton are filled with water and air. The accuracy of the developed method is tested with available experimental and numerical results. The developed method has been applied to investigate the failure and post-failure behaviour of rapid landslides in unsaturated slopes subjected to rainfall infiltration using two different bedrock geometries that lie below the top soil. The models show different failure and post-failur…