976 resultados para Energy model


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The generalized liquid drop model (GLDM) is extended to the region around deformed shell closure (270)Hs by taking into account the excitation energy EI+ of the residual daughter nucleus and the centrifugal potential energy V-cen(r). The branching ratios of alpha decays from the ground state of a parent nucleus to the ground state 0(+) of its deformed daughter nucleus and to the first excited state 2(+) are calculated in the framework of the GLDM. The results support the proposal that a measurement of alpha spectroscopy is a feasible method to extract information on nuclear deformation of superheavy nuclei around the deformed nucleus (270)Hs.

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The complex protein folding kinetics in wide temperature ranges is studied through diffusive dynamics on the underlying energy landscape. The well-known kinetic chevron rollover behavior is recovered from the mean first passage time, with the U-shape dependence on temperature. The fastest folding temperature T-0 is found to be smaller than the folding transition temperature T-f. We found that the fluctuations of the kinetics through the distribution of first passage time show rather universal behavior, from high-temperature exponential Poissonian kinetics to the relatively low-temperature highly nonexponential kinetics. The transition temperature is at T-k and T-0, T-k, T-f. In certain low-temperature regimes, a power law behavior at long time emerges. At very low temperatures ( lower than trapping transition temperature T< T-0/(4&SIM;6)), the kinetics is an exponential Poissonian process again.

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We propose an approach to integrate the theory, simulations, and experiments in protein-folding kinetics. This is realized by measuring the mean and high-order moments of the first-passage time and its associated distribution. The full kinetics is revealed in the current theoretical framework through these measurements. In the experiments, information about the statistical properties of first-passage times can be obtained from the kinetic folding trajectories of single molecule experiments ( for example, fluorescence). Theoretical/simulation and experimental approaches can be directly related. We study in particular the temperature-varying kinetics to probe the underlying structure of the folding energy landscape. At high temperatures, exponential kinetics is observed; there are multiple parallel kinetic paths leading to the native state. At intermediate temperatures, nonexponential kinetics appears, revealing the nature of the distribution of local traps on the landscape and, as a result, discrete kinetic paths emerge. At very low temperatures, exponential kinetics is again observed; the dynamics on the underlying landscape is dominated by a single barrier.

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We study the kinetics of protein folding via statistical energy landscape theory. We concentrate on the local-connectivity case, where the configurational changes can only occur among neighboring states, with the folding progress described in terms of an order parameter given by the fraction of native conformations. The non-Markovian diffusion dynamics is analyzed in detail and an expression for the mean first-passage time (MFPT) from non-native unfolded states to native folded state is obtained. It was found that the MFPT has a V-shaped dependence on the temperature. We also find that the MFPT is shortened as one increases the gap between the energy of the native and average non-native folded states relative to the fluctuations of the energy landscape. The second- and higher-order moments are studied to infer the first-passage time distribution. At high temperature, the distribution becomes close to a Poisson distribution, while at low temperatures the distribution becomes a Levy-type distribution with power-law tails, indicating a nonself-averaging intermittent behavior of folding dynamics. We note the likely relevance of this result to single-molecule dynamics experiments, where a power law (Levy) distribution of the relaxation time of the underlined protein energy landscape is observed.

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基于奇异值分解和能量最小原则,提出了一种自适应图像降噪算法,并给出了基于有界变差的能量降噪模型的代数形式。通过在矩阵范数意义下求能量最小,自适应确定去噪图像重构的奇异值个数。该算法的特点是将能量最小法则和奇异值分解结合起来,在代数空间中建立了一种自适应的图像降噪算法。与基于压缩比和奇异值分解的降噪方法相比,由于该算法避免了图像压缩比函数及其拐点的计算,因此具有快速去噪和简单可行的优点。实验结果证明,该算法是有效的。

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The equilibrium polymerization of sulfur is investigated by Monte Carlo simulations. The potential energy model is based on density functional results for the cohesive energy, structural, and vibrational properties as well as reactivity of sulfur rings and chains [Part I, J. Chem. Phys. 118, 9257 (2003)]. Liquid samples of 2048 atoms are simulated at temperatures 450less than or equal toTless than or equal to850 K and P=0 starting from monodisperse S-8 molecular compositions. Thermally activated bond breaking processes lead to an equilibrium population of unsaturated atoms that can change the local pattern of covalent bonds and allow the system to approach equilibrium. The concentration of unsaturated atoms and the kinetics of bond interchanges is determined by the energy DeltaE(b) required to break a covalent bond. Equilibrium with respect to the bond distribution is achieved for 15less than or equal toDeltaE(b)less than or equal to21 kcal/mol over a wide temperature range (Tgreater than or equal to450 K), within which polymerization occurs readily, with entropy from the bond distribution overcompensating the increase in enthalpy. There is a maximum in the polymerized fraction at temperature T-max that depends on DeltaE(b). This fraction decreases at higher temperature because broken bonds and short chains proliferate and, for Tless than or equal toT(max), because entropy is less important than enthalpy. The molecular size distribution is described well by a Zimm-Schulz function, plus an isolated peak for S-8. Large molecules are almost exclusively open chains. Rings tend to have fewer than 24 atoms, and only S-8 is present in significant concentrations at all T. The T dependence of the density and the dependence of polymerization fraction and degree on DeltaE(b) give estimates of the polymerization temperature T-f=450+/-20 K. (C) 2003 American Institute of Physics.

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La perception visuelle ne se résume pas à la simple perception des variations de la quantité de lumière qui atteint la rétine. L’image naturelle est en effet composée de variation de contraste et de texture que l’on qualifie d’information de deuxième ordre (en opposition à l’information de premier ordre : luminance). Il a été démontré chez plusieurs espèces qu’un mouvement de deuxième ordre (variation spatiotemporelle du contraste ou de la texture) est aisément détecté. Les modèles de détection du mouvement tel le modèle d’énergie d’Adelson et Bergen ne permettent pas d’expliquer ces résultats, car le mouvement de deuxième ordre n’implique aucune variation de la luminance. Il existe trois modèles expliquant la détection du mouvement de deuxième ordre : la présence d’une circuiterie de type filter-rectify-filter, un mécanisme de feature-tracking ou simplement l’existence de non-linéarités précoces dans le traitement visuel. Par ailleurs, il a été proposé que l’information visuelle de deuxième ordre soit traitée par une circuiterie neuronale distincte de celle qui traite du premier ordre. Bon nombre d’études réfutent cependant cette théorie et s’entendent sur le fait qu’il n’y aurait qu’une séparation partielle à bas niveau. Les études électrophysiologiques sur la perception du mouvement de deuxième ordre ont principalement été effectuées chez le singe et le chat. Chez le chat, toutefois, seules les aires visuelles primaires (17 et 18) ont été extensivement étudiées. L’implication dans le traitement du deuxième ordre de l’aire dédiée à la perception du mouvement, le Sulcus syprasylvien postéro-médian latéral (PMLS), n’est pas encore connue. Pour ce faire, nous avons étudié les profils de réponse des neurones du PMLS évoqués par des stimuli dont la composante dynamique était de deuxième ordre. Les profils de réponses au mouvement de deuxième ordre sont très similaires au premier ordre, bien que moins sensibles. Nos données suggèrent que la perception du mouvement par le PMLS serait de type form-cue invariant. En somme, les résultats démontrent que le PMLS permet un traitement plus complexe du mouvement du deuxième ordre et sont en accord avec son rôle privilégié dans la perception du mouvement.

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Neutron multiplicities for several targets and spallation products of proton-induced reactions in thin targets of interest to an accelerator-driven system obtained with the CRISP code have been reported. This code is a Monte Carlo calculation that simulates the intranuclear cascade and evaporationl fission competition processes. Results are compared with experimental data, and agreement between each other can be considered quite satisfactory in a very broad energy range of incitant particles and different targets.

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We consider perturbations in a cosmological model with a small coupling between dark energy and dark matter. We prove that the stability of the curvature perturbation depends on the type of coupling between dark sectors. When the dark energy is of quintessence type, if the coupling is proportional to the dark matter energy density, it will drive the instability in the curvature perturbations: however if the coupling is proportional to the energy density of dark energy, there is room for the stability in the curvature perturbations. When the dark energy is of phantom type, the perturbations are always stable, no matter whether the coupling is proportional to the one or the other energy density. (C) 2008 Elsevier B.V. All rights reserved.

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Using the altitudinal profiles of wind, temperature, pressure, and humidity in three flight models, we tried to explain the altitudinal distributions of nocturnal migrants recorded by radar above a desert in southern Israel. In the simplest model, only the tailwind component was used as a predictor of the most preferred flight altitude (T model). The energy model (E model) predicted flight ranges according to mechanical power consumption in flapping flight depending on air density and wind conditions, assuming optimal adjustment of airspeed and compensation of crosswinds, and including the influence of mass loss during flight. The energy-water model (EW model) used the same assumptions and parameters as the E model but also included restrictions caused by dehydration. Because wind was by far the most important factor governing altitudinal distribution of nocturnal migrants, differences in predictions of the three models were small. In a first approach, the EW model performed slightly better than the E model, and both performed slightly better than the T model. Differences were most pronounced in spring, when migrants should fly high according to wind conditions, but when climbing and descending they must cross lower altitudes where conditions are better with respect to dehydration. A simplified energy model (Es model) that omits the effect of air density on flight costs explained the same amount of variance in flight altitude as the more complicated E and EW models. By omitting the effect of air density, the Es model predicted lower flight altitudes and thus compensated for factors that generally bias height distributions downward but are not considered in the models (i.e. climb and descent through lower air layers, cost of ascent, and decrease of oxygen partial pressure with altitude). Our results confirm that wind profiles, and thus energy rather than water limitations, govern the altitudinal distribution of nocturnal migrants, even under the extreme humidity and temperature conditions in the trade wind zone.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The transient process of solidification of laminar liquid flow (water) submitted to super-cooling was investigated both theoretically and experimentally. In this study an alternative analytical formulation and numerical approach were adopted resulting in the unsteady model with temperature dependent thermophysical properties in the solid region. The proposed model is based upon the fundamental equations of energy balance in the solid and liquid regions as well as across the solidification front. The basic equations and the associated boundary and initial conditions were made dimensionless by using the Landau transformation to immobilize the moving front and render the problem to a fixed plane type problem. A laminar velocity profile is admitted in the liquid domain and the resulting equations were discretized using the finite difference approach. The numerical predictions obtained were compared with the available results based on other models and concepts such as Neumann analytical model, the apparent thermal capacity model due to Bonacina and the conventional fixed grid energy model due to Goodrich. To obtain further comparisons and more validation of the model and the numerical solution, an experimental rig was constructed and instrumented permitting very well controlled experimental measurements. The numerical predictions were compared with the experimental results and the agreement was found satisfactory.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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Pós-graduação em Agronomia (Energia na Agricultura) - FCA