931 resultados para Model free kinetics
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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We show that diffusion can play an important role in protein-folding kinetics. We explicitly calculate the diffusion coefficient of protein folding in a lattice model. We found that diffusion typically is configuration- or reaction coordinate-dependent. The diffusion coefficient is found to be decreasing with respect to the progression of folding toward the native state, which is caused by the collapse to a compact state constraining the configurational space for exploration. The configuration- or position-dependent diffusion coefficient has a significant contribution to the kinetics in addition to the thermodynamic free-energy barrier. It effectively changes (increases in this case) the kinetic barrier height as well as the position of the corresponding transition state and therefore modifies the folding kinetic rates as well as the kinetic routes. The resulting folding time, by considering both kinetic diffusion and the thermodynamic folding free-energy profile, thus is slower than the estimation from the thermodynamic free-energy barrier with constant diffusion but is consistent with the results from kinetic simulations. The configuration- or coordinate-dependent diffusion is especially important with respect to fast folding, when there is a small or no free-energy barrier and kinetics is controlled by diffusion. Including the configurational dependence will challenge the transition state theory of protein folding. The classical transition state theory will have to be modified to be consistent. The more detailed folding mechanistic studies involving phi value analysis based on the classical transition state theory also will have to be modified quantitatively.
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Using the axially-symmetric time-dependent Gross-Pitaevskii equation we study the phase coherence in a repulsive Bose-Einstein condensate (BEC) trapped by a harmonic and an one-dimensional optical lattice potential to describe the experiment by Cataliotti et al. on atomic Josephson oscillation [Science 293, 843 (2001)]. The phase coherence is maintained after the BEC is set into oscillation by a small displacement of the magnetic trap along the optical lattice. The phase coherence in the presence of oscillating neutral current across an array of Josephson junctions manifests in an interference pattern formed upon free expansion of the BEC. The numerical response of the system to a large displacement of the magnetic trap is a classical transition from a coherent superfluid to an insulator regime and a subsequent destruction of the interference pattern in agreement With the more recent experiment by Cataliotti et al. [New J. Phys. 5, 71 (2003)].
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We show that Peccei-Quinn and lepton number symmetries can be a natural outcome in a 3-3-1 model with right-handed neutrinos after imposing a Z(11)circle timesZ(2) symmetry. This symmetry is suitably accommodated in this model when we augment its spectrum by including merely one singlet scalar field. We work out the breaking of the Peccei-Quinn symmetry, yielding the axion, and study the phenomenological consequences. The main result of this work is that the solution to the strong CP problem can be implemented in a natural way, implying an invisible axion phenomenologically unconstrained, free of domain wall formation, and constituting a good candidate for the cold dark matter.
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The so-called conformal affine Toda theory coupled to the matter fields (CATM), associated to the (s) over capl(2) affine Lie algebra, is studied. The conformal symmetry is fixed by setting a connection to zero, then one defines an off-critical model, the affine Toda model coupled to the matter (ATM). Using the dressing transformation method we construct the explicit forms of the two-soliton classical solutions, and show that a physical bound soliton-antisoliton pair (breather) does not exist. Moreover, we verify that these solutions share some features of the sine-Gordon (massive Thirring) solitons, and satisfy the classical equivalence of topological and Noether currents in the ATM model. We show, using bosonization techniques that the ATM theory decouples into a sine-Gordon model and a free scalar. Imposing the Noether and topological currents equivalence as a constraint, one can show that the ATM model leads to a bag model like mechanism for the confinement of the color charge inside the sine-Gordon solitons (baryons).
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We employ the NJL model to calculate mesonic correlation functions at finite temperature and compare results with recent lattice QCD simulations. We employ an implicit regularization scheme to deal with the divergent amplitudes to obtain ambiguity-free, scale-invariant and symmetry-preserving physical amplitudes. Making the coupling constants of the model temperature dependent, we show that at low momenta our results agree qualitatively with lattice simulations.
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We use a time-dependent dynamical mean-field-hydrodynamic model to study the formation of fermionic dark solitons in a trapped degenerate Fermi gas mixed with a Bose-Einstein condensate in a harmonic as well as a periodic optical-lattice potential. The dark soliton with a 'notch' in the probability density with a zero at the minimum is simulated numerically as a nonlinear continuation of the first vibrational excitation of the linear mean-field-hydrodynamic equations, as suggested recently for pure bosons. We study the free expansion of these dark solitons as well as the consequent increase in the size of their central notch and discuss the possibility of experimental observation of the notch after free expansion.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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A novel strategy to handle divergences typical of perturbative calculations is implemented for the Nambu-Jona-Lasinio model and its phenomenological consequences investigated. The central idea of the method is to avoid the critical step involved in the regularization process, namely, the explicit evaluation of divergent integrals. This goal is achieved by assuming a regularization distribution in an implicit way and making use, in intermediary steps, only of very general properties of such regularization. The finite parts are separated from the divergent ones and integrated free from effects of the regularization. The divergent parts are organized in terms of standard objects, which are independent of the ( arbitrary) momenta running in internal lines of loop graphs. Through the analysis of symmetry relations, a set of properties for the divergent objects are identified, which we denominate consistency relations, reducing the number of divergent objects to only a few. The calculational strategy eliminates unphysical dependencies of the arbitrary choices for the routing of internal momenta, leading to ambiguity-free, and symmetry-preserving physical amplitudes. We show that the imposition of scale properties for the basic divergent objects leads to a critical condition for the constituent quark mass such that the remaining arbitrariness is removed. The model becomes predictive in the sense that its phenomenological consequences do not depend on possible choices made in intermediary steps. Numerical results are obtained for physical quantities at the one-loop level for the pion and sigma masses and pion-quark and sigma-quark coupling constants.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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In this work, the occurrence of chaos (homoclinic scene) is verified in a robotic system with two degrees of freedom by using Poincare-Mel'nikov method. The studied problem was based on experimental results of a two-joint planar manipulator-first joint actuated and the second joint free-that resides in a horizontal plane. This is the simplest model of nonholonomic free-joint manipulators. The purpose of the present study is to verify analytically those results and to suggest a control strategy.
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)