Search results for "functional"
showing 10 items of 4822 documents
Higher-order energy density functionals in nuclear self-consistent theory
2011
In this thesis consisting of two publications and an overview part, a study of two aspects of energy density functionals has been performed. Firstly, we have linked the next-to-next-to-next-to-leading order nuclear energy density functional to a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, the quasi-local nuclear Energy Density Functional (EDF) has been calculated as the average energy obtained from the pseudopotential. The direct reference of the EDF to the pseudopotential acts as a constraint that allows for expressing the isovector coupling constants functional in terms of the isoscalar ones, or vice …
Distinct Patterns of Functional Connectivity During the Comprehension of Natural, Narrative Speech
2020
Recent continuous task studies, such as narrative speech comprehension, show that fluctuations in brain functional connectivity (FC) are altered and enhanced compared to the resting state. Here, we characterized the fluctuations in FC during comprehension of speech and time-reversed speech conditions. The correlations of Hilbert envelope of source-level EEG data were used to quantify FC between spatially separate brain regions. A symmetric multivariate leakage correction was applied to address the signal leakage issue before calculating FC. The dynamic FC was estimated based on a sliding time window. Then, principal component analysis (PCA) was performed on individually concatenated and tem…
A control strategy based on intelligent algorithm (PSO) to perform electrical stimulation systems
2017
International audience; Adjusting stimulation parameters using control strategy based on reliable mathematical model that can predict perfectly the muscle response, may improve the efficiency of Functional Electrical Stimulation (FES) systems. In the present project, we investigate the PID control tuning based on the Particle Swarm Optimization (PSO) algorithm at the first time in neuro-muscular systems for updating automatically the stimulation pulse amplitude to track a desired force profiles. In the beginning, The PSO algorithm is used to identify unknown force model parameters. Next, optimal PID gains are found by the same intelligent algorithm to improve the control system. The obtaine…
(2-Pyridyl)sulfonyl Groups for ortho -Directing Palladium- Catalyzed Carbon-Halogen Bond Formation at Functionalized Arenes
2017
International audience; We describe an efficient palladium-catalyzed selective C-H ortho-monohalogenation (X=I, Br, Cl, F) of various functionalized (2-pyridyl) aryl-sulfones. ortho-, meta-and para-functionalization is tolerated at the arene group which undergoes C-H halogenation. Some modifications are also possible on the 2-(arylsulfonyl) heteroaryl directing groups. A comparison of the halogenation efficiency suggests that bromination is the practical method of choice, while chlorination and fluorination are possible but more challenging. Under forcing conditions ortho-dihalogenation can also be achieved.
Resolvent estimates for elliptic quadratic differential operators
2011
Sharp resolvent bounds for non-selfadjoint semiclassical elliptic quadratic differential operators are established, in the interior of the range of the associated quadratic symbol.
Correspondence between generalized binomial field states and coherent atomic states
2008
We show that the N-photon generalized binomial states of electromagnetic field may be put in a bijective mapping with the coherent atomic states of N two-level atoms. We exploit this correspondence to simply obtain both known and new properties of the N-photon generalized binomial states. In particular, an over-complete basis of these binomial states and an orthonormal basis are obtained. Finally, the squeezing properties of generalized binomial state are analyzed.
Enhancing Metastability by Dissipation and Driving in an Asymmetric Bistable Quantum System.
2018
The stabilizing effect of quantum fluctuations on the escape process and the relaxation dynamics from a quantum metastable state are investigated. Specifically, the quantum dynamics of a multilevel bistable system coupled to a bosonic Ohmic thermal bath in strong dissipation regime is analyzed. The study is performed by a non-perturbative method based on the real-time path integral approach of the Feynman-Vernon influence functional. We consider a strongly asymmetric double well potential with and without a monochromatic external driving, and with an out-of-equilibrium initial condition. In the absence of driving we observe a nonmonotonic behavior of the escape time from the metastable regi…
Combined Spectroscopic and TD-DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes: A Case Study on Amino- versus Nitro-Sub…
2020
Made available in DSpace on 2020-12-12T01:33:30Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-01-01 A combined spectroscopic and TD-DFT case study was performed, to identify a robust method to calculate the complex near UV/Vis absorption spectra of various amino- vs. nitro-substituted 2,4-diphenylquinolines, which vary strongly under neutral and successively acidic conditions. For this, different DFT functionals were tested for geometry optimization and the TD part to calculate the neutral and different protonated species in a fast screening approach, i. e. using single point calculations in an implicit solvent. Offset-corrected M06HF, hitherto only applied to polymers, was identif…
Warunki zamieszkiwania w miejskich obszarach funkcjonalnych w Polsce
2016
Warunki zamieszkania stanowią bardzo ważny element oceny jakości i poziomu życia. Ich kształtowanie ma duże znaczenie w przypadku budowania i rozwoju miejskich obszarów funkcjonalnych. Celem pracy jest identyfikacja przestrzennego zróżnicowania warunków zamieszkania w miejskich obszarach funkcjonalnych w Polsce. Badania dotyczą roku 2013 i obejmują wszystkie obszary funkcjonalne Polski ukształtowane wokół ośrodków wojewódzkich. Analizę prowadzono z wykorzystaniem taksonomicznej odległości od wzorca Hellwiga w następujących układach przestrzennych: miejskie obszary funkcjonalne jako całości, ośrodki centralne a strefy zewnętrzne obszarów funkcjonalnych oraz układ gminny. Wyniki badań wskazuj…
On the modification of the nitrile groups of acrylonitrile/butadiene/styrene into oxazoline in the melt
2000
Oxazoline functionality is well known to be highly reactive toward a lot of other functional groups like carboxyls, hydroxyls, mercaptans, and amines. In this work we report the possibility to modify the nitrile groups of an acrylonitrile/butadiene/styrene (ABS) copolymer into oxazoline in the molten state in the presence of aminoethanol as modifier agent and zinc acetate as a catalyst. The reaction has been carried out in a batch mixer and in a corotating twin screw extruder. The conversion of the nitrile groups into oxazoline has been verified by infrared spectroscopy, NMR analysis microanalysis and confirmed by thermomechanical characterization. The results indicate that the kinetic of g…