178 resultados para extended delocalization


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The local atomic structures around the Zr atom of pure (undoped) ZrO(2) nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO(2) nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.

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We have developed a theoretical model for superhydrophobic surfaces that are formed from an extended array of microcavities, and have fabricated specific microcavity patterns to form superhydrophobic surfaces of the kind modeled. The model shows that the cavity aspect ratio can be significantly less than unity, indicating that the microcavities do not need to be deep in order to enhance the superhydrophobic character of the surface. We have fabricated surfaces of this kind and measured advancing contact angle as high as 153 degrees, in agreement with predictions of the model.

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The mechanism of incoherent pi(0) and eta photoproduction from complex nuclei is investigated from 4 to 12 GeV with an extended version of the multicollisional Monte Carlo (MCMC) intranuclear cascade model. The calculations take into account the elementary photoproduction amplitudes via a Regge model and the nuclear effects of photon shadowing, Pauli blocking, and meson-nucleus final-state interactions. The results for pi(0) photoproduction reproduced for the first time the magnitude and energy dependence of the measured rations sigma(gamma A)/sigma(gamma N) for several nuclei (Be, C, Al, Cu, Ag, and Pb) from a Cornell experiment. The results for eta photoproduction fitted the inelastic background in Cornell's yields remarkably well, which is clearly not isotropic as previously considered in Cornell's analysis. With this constraint for the background, the eta -> gamma gamma. decay width was extracted using the Primakoff method, combining Be and Cu data [Gamma(eta ->gamma gamma) = 0.476(62) keV] and using Be data only [Gamma(eta ->gamma gamma) = 0.512(90) keV]; where the errors are only statistical. These results are in sharp contrast (similar to 50-60%) with the value reported by the Cornell group [Gamma(eta ->gamma gamma). = 0.324(46) keV] and in line with the Particle Data Group average of 0.510(26) keV.

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We derive a closed form expression for the sum of all the infrared divergent contributions to the free energy of a gas of gravitons. An important ingredient of our calculation is the use of a gauge fixing procedure such that the graviton propagator becomes both traceless and transverse. This has been shown to be possible, in a previous work, using a general gauge fixing procedure, in the context of the lowest order expansion of the Einstein-Hilbert action, describing noninteracting spin-two fields. In order to encompass the problems involving thermal loops, such as the resummation of the free energy, in the present work, we have extended this procedure to the situations when the interactions are taken into account.

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New measurements by the PHENIX experiment at the Relativistic Heavy Ion Collider for. production at midrapidity as a function of transverse momentum ((PT)) and collision centrality in root s(NN) = 200 GeV Au + Au and p + p collisions are presented. They indicate nuclear modification factors (R(AA)) which are similar in both magnitude and trend to those found in earlier pi(0) measurements. Linear fits to R(AA) as a function of (PT) in 5-20 GeV/c show that the slope is consistent with zero within two standard deviations at all centralities, although a slow rise cannot be excluded. Having different statistical and systematic uncertainties, the pi(0) and eta measurements are complementary at high (PT); thus, along with the extended (PT) range of these data they can provide additional constraints for theoretical modeling and the extraction of transport properties.

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Bose-Einstein correlations of charged kaons are used to probe Au+Au collisions at s(NN)=200 GeV and are compared to charged pion probes, which have a larger hadronic scattering cross section. Three-dimensional Gaussian source radii are extracted, along with a one-dimensional kaon emission source function. The centrality dependences of the three Gaussian radii are well described by a single linear function of N(part)(1/3) with a zero intercept. Imaging analysis shows a deviation from a Gaussian tail at r greater than or similar to 10 fm, although the bulk emission at lower radius is well described by a Gaussian. The presence of a non-Gaussian tail in the kaon source reaffirms that the particle emission region in a heavy-ion collision is extended, and that similar measurements with pions are not solely due to the decay of long-lived resonances.

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The nuclear gross theory, originally formulated by Takahashi and Yamada (1969 Prog. Theor. Phys. 41 1470) for the beta-decay, is applied to the electronic-neutrino nucleus reactions, employing a more realistic description of the energetics of the Gamow-Teller resonances. The model parameters are gauged from the most recent experimental data, both for beta(-)-decay and electron capture, separately for even-even, even-odd, odd-odd and odd-even nuclei. The numerical estimates for neutrino-nucleus cross-sections agree fairly well with previous evaluations done within the framework of microscopic models. The formalism presented here can be extended to the heavy nuclei mass region, where weak processes are quite relevant, which is of astrophysical interest because of its applications in supernova explosive nucleosynthesis.

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The local-density approximation (LDA) together with the half occupation (transitionstate) is notoriously successful in the calculation of atomic ionization potentials. When it comes to extended systems, such as a semiconductor infinite system, it has been very difficult to find a way to half ionize because the hole tends to be infinitely extended (a Bloch wave). The answer to this problem lies in the LDA formalism itself. One proves that the half occupation is equivalent to introducing the hole self-energy (electrostatic and exchange correlation) into the Schrodinger equation. The argument then becomes simple: The eigenvalue minus the self-energy has to be minimized because the atom has a minimal energy. Then one simply proves that the hole is localized, not infinitely extended, because it must have maximal self-energy. Then one also arrives at an equation similar to the self- interaction correction equation, but corrected for the removal of just 1/2 electron. Applied to the calculation of band gaps and effective masses, we use the self- energy calculated in atoms and attain a precision similar to that of GW, but with the great advantage that it requires no more computational effort than standard LDA.

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The results of midrapidity (0 < y < 0.8) neutral pion spectra over an extended transverse momentum range (1 < p(T) < 12 GeV/c) in root s(NN) = 200 GeV Au + Au collisions, measured by the STAR experiment, are presented. The neutral pions are reconstructed from photons measured either by the STAR Barrel Electro-Magnetic Calorimeter or by the Time Projection Chamber via tracking of conversion electron-positron pairs. Our measurements are compared to previously published pi(+/-) and pi(0) results. The nuclear modification factors R(CP) and R(AA) of pi(0) are also presented as a function of p(T). In the most central Au + Au collisions, the binary collision scaled pi(0) yield at high p(T) is suppressed by a factor of about 5 compared to the expectation from the yield of p + p collisions. Such a large suppression is in agreement with previous observations for light quark mesons and is consistent with the scenario that partons suffer considerable energy loss in the dense medium formed in central nucleus-nucleus collisions at the Relativistic Heavy Ion Collider.

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We discuss the use of reduced fusion cross sections in the derivation of fusion barrier distributions. We show that the elimination of static effects associated with system sizes and optical potentials obtained by the recently introduced fusion functions can be extended to barrier distributions. This can be a useful tool for systematic studies of breakup coupling effects in fusion processes.

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The masses of neutron-deficient nuclides near the N=Z line with A=64-80 have been determined using a direct time-of-flight technique which employed a cyclotron as a high-resolution spectrometer. The measured atomic masses for (68)Se and (80)Y were 67.9421(3) u and 79.9344(2) u, respectively. The new values agree with the 2003 Atomic Mass Evaluation. The result for (68)Se confirms that this nucleus is a waiting point of the rp-process, and that for (80)Y resolves the conflict between earlier measurements. Using the present results and the 2003 Atomic Mass Evaluation compilation, the empirical interaction between the last proton and the last neutron in N=Z nuclei has been revisited and extended.

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We investigate the sensitivity of the composite cellular automaton of H. Fuks [Phys. Rev. E 55, R2081 (1997)] to noise and assess the density classification performance of the resulting probabilistic cellular automaton (PCA) numerically. We conclude that the composite PCA performs the density classification task reliably only up to very small levels of noise. In particular, it cannot outperform the noisy Gacs-Kurdyumov-Levin automaton, an imperfect classifier, for any level of noise. While the original composite CA is nonergodic, analyses of relaxation times indicate that its noisy version is an ergodic automaton, with the relaxation times decaying algebraically over an extended range of parameters with an exponent very close (possibly equal) to the mean-field value.

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Cooperative scattering of light by an extended object such as an atomic ensemble or a dielectric sphere is fundamentally different from scattering from many pointlike scatterers such as single atoms. Homogeneous distributions tend to scatter cooperatively, whereas fluctuations of the density distribution increase the disorder and suppress cooperativity. In an atomic cloud, the amount of disorder can be tuned via the optical thickness, and its role can be studied via the radiation force exerted by the light on the atomic cloud. Monitoring cold (87)Rb atoms released from a magneto-optical trap, we present the first experimental signatures of radiation force reduction due to cooperative scattering. The results are in agreement with an analytical expression interpolating between the disorder and the cooperativity-dominated regimes.

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In this paper, employing the Ito stochastic Schrodinger equation, we extend Bell's beable interpretation of quantum mechanics to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories. For a particular choice of the source of stochasticity, the one leading to a dissipative Lindblad-type correction to the Hamiltonian dynamics, we find that the diffusive terms in Nelsons stochastic trajectories are naturally incorporated into Bohm's causal dynamics, yielding a unified Bohm-Nelson theory. In particular, by analyzing the interference between quantum trajectories, we clearly identify the decoherence time, as estimated from the quantum formalism. We also observe the quantum-to-classical transition in the convergence of the infinite ensemble of quantum trajectories to their classical counterparts. Finally, we show that our extended beables circumvent the problems in Bohm's causal dynamics regarding stationary states in quantum mechanics.

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The control of molecular architectures has been a key factor for the use of Langmuir-Blodgett (LB) films in biosensors, especially because biomolecules can be immobilized with preserved activity. In this paper we investigated the incorporation of tyrosinase (Tyr) in mixed Langmuir films of arachidic acid (AA) and a lutetium bisphthalocyanine (LuPc(2)), which is confirmed by a large expansion in the surface pressure isotherm. These mixed films of AA-LuPc(2) + Tyr could be transferred onto ITO and Pt electrodes as indicated by FTIR and electrochemical measurements, and there was no need for crosslinking of the enzyme molecules to preserve their activity. Significantly, the activity of the immobilised Tyr was considerably higher than in previous work in the literature, which allowed Tyr-containing LB films to be used as highly sensitive voltammetric sensors to detect pyrogallol. Linear responses have been found up to 400 mu M, with a detection limit of 4.87 x 10(-2) mu M (n = 4) and a sensitivity of 1.54 mu A mu M(-1) cm(-2). In addition, the Hill coefficient (h = 1.27) indicates cooperation with LuPc(2) that also acts as a catalyst. The enhanced performance of the LB-based biosensor resulted therefore from a preserved activity of Tyr combined with the catalytic activity of LuPc(2), in a strategy that can be extended to other enzymes and analytes upon varying the LB film architecture.