124 resultados para XPS RESULTS


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Some theorems derived recently by the authors on the stability of multidimensional linear time varying systems are reported in this paper. To begin with, criteria based on Liapunov�s direct method are stated. These are followed by conditions on the asymptotic behaviour and boundedness of solutions. Finally,L 2 andL ? stabilities of these systems are discussed. In conclusion, mention is made of some of the problems in aerospace engineering to which these theorems have been applied.

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Oxygen storage/release (OSC) capacity is an important feature common to all three-way catalysts to combat harmful exhaust emissions. To understand the mechanism of improved OSC for doped CeO2, we undertook the structural investigation by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), H-2-TPR (temperature-programmed hydrogen reduction) and density functional theoretical (DFT) calculations of transition-metal-, noble-metal-, and rare-earth (RE)-ion-substituted ceria. In this report, we present the relationship between the OSC and structural changes induced by the dopant ion in CeO2. Transition metal and noble metal ion substitution in ceria greatly enhances the reducibility of Ce1-xMxO2-delta (M = Mn, Fe, Co, Ni, Cu, Pd, Pt, Ru), whereas rare-earth-ion-substituted Ce(1-x)A(x)O(2-delta) (A = La, Y) have very little effect in improving the OSC. Our simulated optimized structure shows deviation in cation oxygen bond length from ideal bond length of 2.34 angstrom (for CeO2). For example, our theoretical calculation for Ce28Mn4O62 structure shows that Mn-O bonds are in 4 + 2 coordination with average bond lengths of 2.0 and 3.06 angstrom respectively. Although the four short Mn-O bond lengths spans the bond distance region of Mn2O3, the other two Mn-O bonds are moved to longer distances. The dopant transition and noble metal ions also affects Ce coordination shell and results in the formation of longer Ce-O bonds as well. Thus longer cation oxygen bonds for both dopant and host ions results in enhanced synergistic reduction of the solid solution. With Pd ion substitution in Ce1-xMxO2-delta (M = Mn, Fe, Co, Ni, Cu) further enhancement in OSC is observed in H-2-TPR. This effect is reflected in our model calculations by the presence of still longer bonds compared to the model without Pd ion doping. The synergistic effect is therefore due to enhanced reducibility of both dopant and host ion induced due to structural distortion of fluorite lattice in presence of dopant ion. For RE ions (RE = Y, La), our calculations show very little deviation of bonds lengths from ideal fluorite structure. The absence of longer Y-O/La-O and Ce-O bonds make the structure much less susceptible to reduction.

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We study charge pumping when a combination of static potentials and potentials oscillating with a time period T is applied in a one-dimensional system of noninteracting electrons. We consider both an infinite system using the Dirac equation in the continuum approximation and a periodic ring with a finite number of sites using the tight-binding model. The infinite system is taken to be coupled to reservoirs on the two sides which are at the same chemical potential and temperature. We consider a model in which oscillating potentials help the electrons to access a transmission resonance produced by the static potentials and show that nonadiabatic pumping violates the simple sin phi rule which is obeyed by adiabatic two-site pumping. For the ring, we do not introduce any reservoirs, and we present a method for calculating the current averaged over an infinite time using the time evolution operator U(T) assuming a purely Hamiltonian evolution. We analytically show that the averaged current is zero if the Hamiltonian is real and time-reversal invariant. Numerical studies indicate another interesting result, namely, that the integrated current is zero for any time dependence of the potential if it is applied to only one site. Finally we study the effects of pumping at two sites on a ring at resonant and nonresonant frequencies, and show that the pumped current has different dependences on the pumping amplitude in the two cases.

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Based on a method presented in detail in a previous work by the authors, similar solutions have been obtained for the steady inviscid quasi‐one‐dimensional nonreacting flow in the supersonic nozzle of a CO2–N2 gasdynamic laser system, with either H2O or He as the catalyst. It has been demonstrated how these solutions could be used to optimize the small‐signal gain coefficient on a specified vibrational‐rotational transition. Results presented for a wide range of mixture compositions include optimum values for the small‐signal gain, area ratio, reservoir temperature, and a binary scaling parameter, which is the product of reservoir pressure and nozzle shape factor.

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We consider functions that map the open unit disc conformally onto the complement of a bounded convex set. We call these functions concave univalent functions. In 1994, Livingston presented a characterization for these functions. In this paper, we observe that there is a minor flaw with this characterization. We obtain certain sharp estimates and the exact set of variability involving Laurent and Taylor coefficients for concave functions. We also present the exact set of variability of the linear combination of certain successive Taylor coefficients of concave functions.

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We show how, for large classes of systems with purely second-class constraints, further information can be obtained about the constraint algebra. In particular, a subset consisting of half the full set of constraints is shown to have vanishing mutual brackets. Some other constraint brackets are also shown to be zero. The class of systems for which our results hold includes examples from non-relativistic particle mechanics as well as relativistic field theory. The results are derived at the classical level for Poisson brackets, but in the absence of commutator anomalies the same results will hold for the commutators of the constraint operators in the corresponding quantised theories.

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In this article we present a new, general but simple, microscopic expression for time-dependent solvation energy of an ion. This expression is surprisingly similar to the expression for the time-dependent dielectric friction on a moving ion. We show that both the Chandra-Bagchi and the Fried-Mukamel formulations of solvation dynamics can be easily derived from this expression. This expression leads to an almost perfect agreement of the theory with all the available computer simulation results. Second, we show here for the first time that the mobility of a light solute ion can significantly accelerate its own solvation, specially in the underdamped limit. The latter result is also in excellent agreement with the computer simulations.

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We obtain metal-insulator phase diagrams at half-filling for the five-band extended Hubbard model of the square-planar CuO2 lattice treated within a Hartree-Fock mean-field approximation, allowing for spiral spin-density waves. We indicate the existence of an insulating phase (covalent insulator) characterized by strong covalency effects, not identified in the earlier Zaanen-Sawatzky-Allen phase diagram. While the insulating phase is always antiferromagnetic, we also obtain an antiferromagnetic metallic phase for a certain range of interaction parameters. Performing a nonperturbative calculation of J(eff), the in-plane antiferromagnetic interaction is presented as a function of the parameters in the model. We also calculate the band gap and magnetic moments at various sites and discuss critically the contrasting interpretation of the electronic structure of high-T(c) materials arising from photoemission and neutron-scattering experiments.

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his paper addresses the problem of minimizing the number of columns with superdiagonal nonzeroes (viz., spiked columns) in a square, nonsingular linear system of equations which is to be solved by Gaussian elimination. The exact focus is on a class of min-spike heuristics in which the rows and columns of the coefficient matrix are first permuted to block lower-triangular form. Subsequently, the number of spiked columns in each irreducible block and their heights above the diagonal are minimized heuristically. We show that ifevery column in an irreducible block has exactly two nonzeroes, i.e., is a doubleton, then there is exactly one spiked column. Further, if there is at least one non-doubleton column, there isalways an optimal permutation of rows and columns under whichnone of the doubleton columns are spiked. An analysis of a few benchmark linear programs suggests that singleton and doubleton columns can abound in practice. Hence, it appears that the results of this paper can be practically useful. In the rest of the paper, we develop a polynomial-time min-spike heuristic based on the above results and on a graph-theoretic interpretation of doubleton columns.

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Time-domain-finite-wave analysis of engine exhaust systems is usually carried out by means of the method of characteristics. The theory and the computational details of the stationary-frame method have been worked out in the accompanying paper (part I). In this paper (part II), typical computed results are given and discussed. A setup designed for experimental corroboration is described. The results obtained from the simulation are found to be in good agreement with experimental observations.

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It is well known that dark matter dominates the dynamics of galaxies and clusters of galaxies. Its constituents remain a mystery despite an assiduous search for them over the past three decades. Recent results from the satellite-based PAMELA experiment show an excess in the positron fraction at energies between 10 and 100 GeV in the secondary cosmic ray spectrum. Other experiments, namely ATIC, HESS and FERMI, show an excess in the total electron (e(+) + e(-)) spectrum for energies greater than 100 GeV. These excesses in the positron fraction as well as the electron spectrum can arise in local astrophysical processes like pulsars, or can be attributed to the annihilation of the dark matter particles. The latter possibility gives clues to the possible candidates for the dark matter in galaxies and other astrophysical systems. In this article, we give a report of these exciting developments.