Theory of unitarity bounds and low-energy form factors

We present a general formalism for deriving bounds on the shape parameters of the weak and electromagnetic form factors using as input correlators calculated from perturbative QCD, and exploiting analyticity and unitarily. The values resulting from the symmetries of QCD at low energies or from lattice calculations at special points inside the analyticity domain can be included in an exact way. We write down the general solution of the corresponding Meiman problem for an arbitrary number of interior constraints and the integral equations that allow one to include the phase of the form factor along a part of the unitarity cut. A formalism that includes the phase and some information on the modulus along a part of the cut is also given. For illustration we present constraints on the slope and curvature of the K-l3 scalar form factor and discuss our findings in some detail. The techniques are useful for checking the consistency of various inputs and for controlling the parameterizations of the form factors entering precision predictions in flavor physics.

Implications of unitarity and analyticity for the D pi form factors

We consider the vector and scalar form factors of the charm-changing current responsible for the semileptonic decay D -> pi/nu. Using as input dispersion relations and unitarity for the moments of suitable heavy-light correlators evaluated with Operator Product Expansions, including O(alpha(2)(s)) terms in perturbative QCD, we constrain the shape parameters of the form factors and find exclusion regions for zeros on the real axis and in the complex plane. For the scalar form factor, a low-energy theorem and phase information on the unitarity cut are also implemented to further constrain the shape parameters. We finally propose new analytic expressions for the D pi form factors, derive constraints on the relevant coefficients from unitarity and analyticity, and briefly discuss the usefulness of the new parametrizations for describing semileptonic data.

The Dπ form factors from analyticity and unitarity

We study the shape parameters of the Dπ scalar and vector form factors using as input dispersion relations and unitarity for the moments of suitable heavy-light correlators evaluated with Operator Product Expansions, including O(α 2 s) terms in perturbative QCD. For the scalar form factor, a low energy theorem and phase information on the unitarity cut are implemented to further constrain the shape parameters. We finally determine points on the real axis and isolate regions in the complex energy plane where zeros of the form factors are excluded.

The Kπ form factors from analyticity and unitarity

Analyticity and unitarity techniques are employed to obtain bounds on the shape parameters of the scalar and vector form factors of semileptonic K l3 decays. For this purpose we use vector and scalar correlators evaluated in pQCD, a low energy theorem for scalar form factor, lattice results for the ratio of kaon and pion decay constants, chiral perturbation theory calculations for the scalar form factor at the Callan-Treiman point and experimental information on the phase and modulus of Kπ form factors up to an energy t in = 1GeV 2. We further derive regions on the real axis and in the complex-energy plane where the form factors cannot have zeros.

Improving the phenomenology of Kl3 form factors with analyticity and unitarity

The shape of the vector and scalar K-l3 form factors is investigated by exploiting analyticity and unitarity in a model-independent formalism. The method uses as input dispersion relations for certain correlators computed in perturbative QCD in the deep Euclidean region, soft-meson theorems, and experimental information on the phase and modulus of the form factors along the elastic part of the unitarity cut. We derive constraints on the coefficients of the parameterizations valid in the semileptonic range and on the truncation error. The method also predicts low-energy domains in the complex t plane where zeros of the form factors are excluded. The results are useful for K-l3 data analyses and provide theoretical underpinning for recent phenomenological dispersive representations for the form factors.

Constraints on the Kl3 form factors from analyticity and unitarity

The K pi form factors are investigated at low energies by the method of unitarity bounds adapted so as to include information on the phase and modulus along the elastic region of the unitarity cut. Using as input the values of the form factors at t = 0, and at the Callan-Treiman point in the scalar case, stringent constraints are obtained on the slope and curvature parameters of the Taylor expansion at the origin.

Constraining form factors with the method of unitarity bounds

The availability of a reliable bound on an integral involving the square of the modulus of a form factor on the unitarity cut allows one to constrain the form factor at points inside the analyticity domain and its shape parameters, and also to isolate domains on the real axis and in the complex energy plane where zeros are excluded. In this lecture note, we review the mathematical techniques of this formalism in its standard form, known as the method of unitarity bounds, and recent developments which allow us to include information on the phase and modulus along a part of the unitarity cut. We also provide a brief summary of some results that we have obtained in the recent past, which demonstrate the usefulness of the method for precision predictions on the form factors.

Ab initio, DFT and transition state theory calculations on 1,2-HF, HCI and CIF elimination reactions from CH2F-CH2Cl

This paper reports ab intio, DFT and transition state theory (TST) calculations on HF, HCI and CIF elimination reactions from CH2Cl-CH2F molecule. Both the ground state and the transition state for HX elimination reactions have been optimized at HF, MP2 and DFT calculations with 6-31G*, 6-31G** and 6-311++G** basis sets. In addition, CCSD(T) single point calculations were carried out with MP2/6-311++G** optimized geometry for more accurate determination of the energies of the minima and transition state, compared to the other methods employed here. Classical barriers are converted to Arrhenius activation energy by TST calculations for comparisons with experimental results. The pre-exponential factors, A, calculated at all levels of theory are significantly larger than the experimental values. For activation energy, E-a DFT gives good results for HF elimination, within 4-8 W mol(-1) from experimental values. None of the methods employed, including CCSD(T), give comparable results for HCI elimination reactions. However, rate constants calculated by CCSD(T) method are in very good agreement with experiment for HCI elimination and they are in reasonable agreement for HF elimination reactions. Due to the strong correlation between A and E., the rate constants could be fit to a lower A and E-a (as given by experimental fitting, corresponding to a tight TS) or to larger A and E-a (as given by high level ab initio calculations, corresponding to a loose TS). The barrier for CIF elimination is determined to be 607 U mol(-1) at HF level and it is unlikely to be important for CH2FCH2Cl. Results for other CH2X-CH2Y (X,Y = F/Cl) are included for comparison.

Thermal Weight Functions and Stress Intensity Factors for Bonded Dissimilar Media Using Body Analogy

In this study, an analytical method is presented for the computation of thermal weight functions in two dimensional bi-material elastic bodies containing a crack at the interface and subjected to thermal loads using body analogy method. The thermal weight functions are derived for two problems of infinite bonded dissimilar media, one with a semi-infinite crack and the other with a finite crack along the interface. The derived thermal weight functions are shown to reduce to the already known expressions of thermal weight functions available in the literature for the respective homogeneous elastic body. Using these thermal weight functions, the stress intensity factors are computed for the above interface crack problems when subjected to an instantaneous heat source.

Modal tailoring and closed-form solutions for rotating non-uniform Euler-Bernoulli beams

In this paper, the free vibration of a rotating Euler-Bernoulli beam is studied using an inverse problem approach. We assume a polynomial mode shape function for a particular mode, which satisfies all the four boundary conditions of a rotating beam, along with the internal nodes. Using this assumed mode shape function, we determine the linear mass and fifth order stiffness variations of the beam which are typical of helicopter blades. Thus, it is found that an infinite number of such beams exist whose fourth order governing differential equation possess a closed form solution for certain polynomial variations of the mass and stiffness, for both cantilever and pinned-free boundary conditions corresponding to hingeless and articulated rotors, respectively. A detailed study is conducted for the first, second and third modes of a rotating cantilever beam and the first and second elastic modes of a rotating pinned-free beam, and on how to pre-select the internal nodes such that the closed-form solutions exist for these cases. The derived results can be used as benchmark solutions for the validation of rotating beam numerical methods and may also guide nodal tailoring. (C) 2014 Elsevier Ltd. All rights reserved.

Stability and transition in the flow of polymer solutions

The linear stability analysis of a plane Couette flow of viscoelastic fluid have been studied with the emphasis on two dimensional disturbances with wave number k similar to Re-1/2, where Re is Reynolds number based on maximum velocity and channel width. We employ three models to represent the dilute polymer solution: the classical Oldroyd-B model, the Oldroyd-B model with artificial diffusivity and the non-homogeneous polymer model. The result of the linear stability analysis is found to be sensitive to the polymer model used. While the plane Couette flow is found to be stable to infinitesimal disturbances for the first two models, the last one exhibits a linear instability.

Analysis of edge delaminations in laminates through combined use of quasi-three-dimensional, eight-noded, two-noded and transition elements

The use of appropriate finite elements in different regions of a stressed solid can be expected to be economical in computing its stress response. This concept is exploited here in studying stresses near free edges in laminated coupons. The well known free edge problem of [0/90], symmetric laminate is considered to illustrate the application of the concept. The laminate is modelled as a combination of three distinct regions. Quasi-three-dimensional eight-noded quadrilateral isoparametric elements (Q3D8) are used at and near the free edge of the laminate and two-noded line elements (Q3D2) are used in the region away from the free edge. A transition element (Q3DT) provides a smooth inter-phase zone between the two regions. Significant reduction in the problem size and hence in the computational time and cost have been achieved at almost no loss of accuracy.

A Photoelectron Spectroscopic Study Of The Interaction Of Oxygen, Nitrogen And Transition-Metals With C-60 Films

Evidence is presented for the strong interaction of oxygen and nitrogen with solid films of buckminsterfullerene based on core-level spectroscopic studies. Cr, Ni and Cu deposited on C60 films interact strongly giving rise to large changes in the C(Is) and C(2p) binding energies as well as the (2p) binding energies of the transition metals.