Padé approach to potential transients: Part 1. Electron transfer without and with coupling to first-order homogeneous reactions at planar electrodes

Potential transients are obtained by using “Padé approximants” (an accurate approximation procedure valid globally — not just perturbatively) for all amplitudes of concentration polarization and current densities. This is done for several mechanistic schemes under constant current conditions. We invert the non-linear current-potential relationship in the form (using the Lagrange or the Ramanujan method) of power series appropriate to the two extremes, namely near reversible and near irreversible. Transforming both into the Pad́e expressions, we construct the potential-time profile by retaining whichever is the more accurate of the two. The effectiveness of this method is demonstrated through illustrations which include couplings of homogeneous chemical reactions to the electron-transfer step.

Analysis of the evanescent field coupling between a fiber and a planar waveguide using the explicit finite difference method with a nonuniform mesh (Journal Paper)

We investigate an optical waveguide system consisting of an unclad fiber core suspended at a constant distance parallel to the surface of a planar waveguide. The coupling and propagation of light in the combined system is studied using the three-dimensional explicit finite difference beam propagation method with a nonuniform mesh configuration. The power loss in the fiber and the field distribution in the waveguide are studied as a function of various parameters, such as index changes, index profile, and propagation distance, for the combined system.

Temperature-dependent chirped coherent phonon dynamics in Bi2Te3 using high-intensity femtosecond laser pulses

Degenerate pump-probe reflectivity experiments have been performed on a single crystal of bismuth telluride (Bi2Te3) as a function of sample temperature (3 K to 296 K) and pump intensity using similar to 50 femtosecond laser pulses with central photon energy of 1.57 eV. The time-resolved reflectivity data show two coherently generated totally symmetric A(1g) modes at 1.85 THz and 3.6 THz at 296 K which blue-shift to 1.9 THz and 4.02 THz, respectively, at 3 K. At high photoexcited carrier density of similar to 1.7 x 10(21) cm(-3), the phonon mode at 4.02 THz is two orders of magnitude higher positively chirped (i.e the phonon time period decreases with increasing delay time between the pump and the probe pulses) than the lower-frequency mode at 1.9 THz. The chirp parameter, beta is shown to be inversely varying with temperature. The time evolution of these modes is studied using continuous-wavelet transform of the time-resolved reflectivity data. Copyright (C) EPLA, 2010

Coherent rainfall zones of the Indian region

We have delineated rainfall zones for the Indian region that are coherent with respect to the variations of the summer monsoon rainfall. Within each zone, the time series of the summer monsoon rainfall at every pair of stations are significantly positively correlated, and the mean interseries correlation for each zone is high. The interseries correlation data set is analysed in order to delineate the rainfall zones, using an objective method specifically developed for the purpose. Each of the zonal averages are shown to be representative of the zone as a whole. We suggest that this regionalization is appropriate for study of the variation of the summer monsoon rainfall over the Indian region on interannual and larger scales.

Aspects of coherent states of nonlinear algebras

Various aspects of coherent states of nonlinear su(2) and su(1,1) algebras are studied. It is shown that the nonlinear su(1,1) Barut-Girardello and Perelomov coherent states are related by a Laplace transform. We then concentrate on the derivation and analysis of the statistical and geometrical properties of these states. The Berry's phase for the nonlinear coherent states is also derived. (C) 2010 American Institute of Physics. doi:10.1063/1.3514118]

Dynamic coupling between the LID and NMP domain motions in the catalytic conversion of ATP and AMP to ADP by adenylate kinase

The catalytic conversion of adenosine triphosphate (ATP) and adenosine monophosphate (AMP) to adenosine diphosphate (ADP) by adenylate kinase (ADK) involves large amplitude, ligand induced domain motions, involving the opening and the closing of ATP binding domain (LID) and AMP binding domain (NMP) domains, during the repeated catalytic cycle. We discover and analyze an interesting dynamical coupling between the motion of the two domains during the opening, using large scale atomistic molecular dynamics trajectory analysis, covariance analysis, and multidimensional free energy calculations with explicit water. Initially, the LID domain must open by a certain amount before the NMP domain can begin to open. Dynamical correlation map shows interesting cross-peak between LID and NMP domain which suggests the presence of correlated motion between them. This is also reflected in our calculated two-dimensional free energy surface contour diagram which has an interesting elliptic shape, revealing a strong correlation between the opening of the LID domain and that of the NMP domain. Our free energy surface of the LID domain motion is rugged due to interaction with water and the signature of ruggedness is evident in the observed root mean square deviation variation and its fluctuation time correlation functions. We develop a correlated dynamical disorder-type theoretical model to explain the observed dynamic coupling between the motion of the two domains in ADK. Our model correctly reproduces several features of the cross-correlation observed in simulations. (C) 2011 American Institute of Physics. doi:10.1063/1.3516588]

Excitation and correlation of N-14 overtone transitions and measurement of heteronuclear dipolar coupling using DAPT

For studying systems containing nitrogen, limited use of N-14 NMR spectroscopy has been made because of the large quadrupolar interaction experienced by the N-14 nucleus and the absence of a central transition. To overcome the above problem, use of overtone spectroscopy has been suggested. Though this approach has limited applicability for powder samples due to second order quadrupole broadening, it is useful for studying oriented samples and single crystals. Here, we demonstrate the use of the recently proposed dipolar assisted polarization transfer (DAPT) pulse scheme for exciting the overtone transitions. The pulse sequence may also be utilized as a two-dimensional experiment to obtain H-1-N-14 dipolar couplings and H-1 chemical shifts. (C) 2010 Elsevier B.V. All rights reserved.

Diastereospecific Coupling of Imines by Low-Valent Titanium: An Experimental and Computational Study

The reaction of phenylsilane (PhSiH3) and titanium(IV) isopropoxide Ti(OiPr)(4)] generates low-valent titanium alkoxides that reduce and reductively couple imines. The C-C coupling reaction is diastereospecific, with exclusive formation of the (+/-)-isomer. The yield is dependent on the concentration of titanium(IV) isopropoxide used. Using imines with varying electronic demand revealed that the coupling is most efficient for unsubstituted imines. The involvement of a trimeric titanium biradical species is invoked to explain the observed concentration dependence and diastereospecificity in the reaction. Multilayer ONIOM (''our own n-layered integrated molecular orbital and molecular mechanics'') calculations were carried out on the plausible intermediates involved by using the Guassian 09 suite of programs. Formation of the trimeric biradical species leading to the formation of the (+/-)-isomer is more favored than formation of the trimeric biradical species, which leads to the meso-isomer. Similar calculations with dimeric intermediates do not predict the (+/-)-selectivity. Mass spectral analysis of the reaction mixture indicates the presence of a trimeric titanium alkoxide species.

Surface-ray tracing on hybrid surfaces of revolution for UTD mutual coupling analysis

An angle invariance property based on Hertz's principle of particle dynamics is employed to facilitate the surface-ray tracing on nondevelopable hybrid quadric surfaces of revolution (h-QUASOR's). This property, when used in conjunction with a Geodesic Constant Method, yields analytical expressions for all the ray-parameters required in the UTD formulation. Differential geometrical considerations require that some of the ray-parameters (defined heuristically in the UTD for the canonical convex surfaces) be modified before the UTD can be applied to such hybrid surfaces. Mutual coupling results for finite-dimensional slots have been presented as an example on a satellite launch vehicle modeled by general paraboloid of revolution and right circular cylinder.

Entanglement and nonclassicality for multimode radiation-field states

Nonclassicality in the sense of quantum optics is a prerequisite for entanglement in multimode radiation states. In this work we bring out the possibilities of passing from the former to the latter, via action of classicality preserving systems like beam splitters, in a transparent manner. For single-mode states, a complete description of nonclassicality is available via the classical theory of moments, as a set of necessary and sufficient conditions on the photon number distribution. We show that when the mode is coupled to an ancilla in any coherent state, and the system is then acted upon by a beam splitter, these conditions turn exactly into signatures of negativity under partial transpose (NPT) entanglement of the output state. Since the classical moment problem does not generalize to two or more modes, we turn in these cases to other familiar sufficient but not necessary conditions for nonclassicality, namely the Mandel parameter criterion and its extensions. We generalize the Mandel matrix from one-mode states to the two-mode situation, leading to a natural classification of states with varying levels of nonclassicality. For two-mode states we present a single test that can, if successful, simultaneously show nonclassicality as well as NPT entanglement. We also develop a test for NPT entanglement after beam-splitter action on a nonclassical state, tracing carefully the way in which it goes beyond the Mandel nonclassicality test. The result of three-mode beam-splitter action after coupling to an ancilla in the ground state is treated in the same spirit. The concept of genuine tripartite entanglement, and scalar measures of nonclassicality at the Mandel level for two-mode systems, are discussed. Numerous examples illustrating all these concepts are presented.

Coherent phonons in pyrochlore titanates A(2)Ti(2)O(7) (A = Dy, Gd, Tb): A phase transition in Dy2Ti2O7 at 110 K

We study the generation of coherent optical phonons in spin-frustrated pyrochlore single crystals Dy2Ti2O7, Gd2Ti2O7, and Tb2Ti2O7 using femtosecond laser pulses (65 fs, 1.57 eV) in degenerate time-resolved transmission experiments as a function of temperature from 4 to 296 K. At 4 K, two coherent phonons are observed at similar to 5.3 THz (5.0 THz) and similar to 9.3 THz (9.4 THz) for Dy2Ti2O7 (Gd2Ti2O7), whereas three coherent phonons are generated at similar to 5.0, 8.6, and 9.7 THz for Tb2Ti2O7. In the case of spin-ice Dy2Ti2O7, a clear discontinuity is observed in the linewidths of both the coherent phonons as well as in the phase of lower-energy coherent phonon mode, indicating a subtle structural change at 110 K. Another important observation is a phase difference of pi between the modes in all the samples, thus suggesting that the driving forces behind the generation of these modes could be different in nature, unlike a purely impulsive or displacive mechanism.

Neutron diffraction study of the coupling between spin, lattice, and structural degrees of freedom in 0.8BiFeO(3)-0.2PbTiO(3)

A powder neutron diffraction study was carried out on 0.8BiFeO(3)-0.2PbTiO(3) in the temperature range 27-1000 degrees C. The system exhibits magnetic transition at similar to 300 degrees C and a rhombohedral (R3c)-cubic (Pm3m) ferroelectric phase transition at similar to 650 degrees C. Anomalous variation in the lattice parameters and the octahedral tilt angle is observed across the magnetic transition temperature. In the magnetic phase, the c parameter is contracted and the octahedral tilt angle is slightly increased. The results suggest coupling between the spin, lattice and structural degrees of freedom. (C) 2011 American Institute of Physics. doi:10.1063/1.3555093]

Coherent-mode decomposition of general anisotropic Gaussian Schell-model beams

We present a complete solution to the problem of coherent-mode decomposition of the most general anisotropic Gaussian Schell-model (AGSM) beams, which constitute a ten-parameter family. Our approach is based on symmetry considerations. Concepts and techniques familiar from the context of quantum mechanics in the two-dimensional plane are used to exploit the Sp(4, R) dynamical symmetry underlying the AGSM problem. We take advantage of the fact that the symplectic group of first-order optical system acts unitarily through the metaplectic operators on the Hilbert space of wave amplitudes over the transverse plane, and, using the Iwasawa decomposition for the metaplectic operator and the classic theorem of Williamson on the normal forms of positive definite symmetric matrices under linear canonical transformations, we demonstrate the unitary equivalence of the AGSM problem to a separable problem earlier studied by Li and Wolf [Opt. Lett. 7, 256 (1982)] and Gori and Guattari [Opt. Commun. 48, 7 (1983)]. This conn ction enables one to write down, almost by inspection, the coherent-mode decomposition of the general AGSM beam. A universal feature of the eigenvalue spectrum of the AGSM family is noted.

Production of Dirac particles due to riccion coupling

It has been noted that at high energy the Ricci scalar is manifested in two different ways, as a matter field as well as a geometrical field (which is its usual nature even at low energy). Here, using the material aspect of the Ricci scalar, its interaction with Dirac spinors is considered in four-dimensional curved spacetime. We find that a large number of fermion-antifermion pairs can be produced by the exponential expansion of the early universe.