Extremum of second-order directional derivatives

In this paper, the extremum of second-order directional derivatives, i.e. the gradient of first-order derivatives is discussed. Given second-order directional derivatives in three nonparallel directions, or given second-order directional derivatives and mixed directional derivatives in two nonparallel directions, the formulae for the extremum of second-order directional derivatives are derived, and the directions corresponding to maximum and minimum are perpendicular to each other.

Synthesis of Imidazole Derivatives for Their Second-order Nonlinear Optics

The design and the synthesis of two conjugated donor acceptor imidazole derivatives(1, 2) were carried out for second order nonlinear optics. The thermal properties, the transparency and second order nonlinear optical properties of the molecules were investigated. The experimental results indicate that a good nonlinearity transparency thermal stability trade off is achieved for them.

Approximate Controllability of Second-Order Neutral Stochastic Differential Equations with Infinite Delay and Poisson Jumps

The modelling of risky asset by stochastic processes with continuous paths, based on Brow- nian motions, suffers from several defects. First, the path continuity assumption does not seem reason- able in view of the possibility of sudden price variations （jumps） resulting of market crashes. A solution is to use stochastic processes with jumps, that will account for sudden variations of the asset prices. On the other hand, such jump models are generally based on the Poisson random measure. Many popular economic and financial models described by stochastic differential equations with Poisson jumps. This paper deals with the approximate controllability of a class of second-order neutral stochastic differential equations with infinite delay and Poisson jumps. By using the cosine family of operators, stochastic analysis techniques, a new set of sufficient conditions are derived for the approximate controllability of the above control system. An example is provided to illustrate the obtained theory.

SIMULTANEOUSE APPROXIMATION TO A DIFFERENTIABLE FUNCTION AND ITS DERIVATIVES BY LAGRANGE INTERPOLATING POLYNOMIALS

This paper establishes the following pointwise result for simultancous Lagrange imterpolating approxima- tion:,then |f^(k)(x)-P_n^(k)(f,x)|=O(1)△_n^(q-k)(x)ω where P_n(f,x)is the Lagrange interpolating potynomial of deereeon the nodes X_nUY_n(see the definition of the next).

ON THE POINTWISE ESTIMATIONS OF APPROXIMATION OF FUNCTIONS AND THEIR DERIVATIVES BY HERMITE INTERPOLATION

The object of this paper is to establish the pointwise estimations of approximation of functions in C^1 and their derivatives by Hermite interpolation polynomials. The given orders have been proved to be exact in gen- eral.

Weighted Approximation by Left Quasi-interpolants of Derivatives of Gamma Operators

In order to obtain much faster convergence, Miiller introduced the left Gamma quasi- interpolants and obtained an approximation equivalence theorem in terms of 2r wφ （f,t）p. Cuo extended the MiiUer＇s results to wφ^24 （f, t）∞. In this paper we improve the previous results and give a weighted approximation equivalence theorem.

Study of scattering from time-varying Gerstners sea surface using second-order small slope approximation

Backscattered fields from one-dimensional time-varying Gerstners sea surface are calculated utilising the secondorder small slope approximation. It is well known that spectral properties of the backscattered echoes relate to the velocity of the small elementary scatterers on sea surface profiles. Therefore, modeling Doppler spectra from the ocean requires an accurate description of the sea surface motion. The profile of nonlinear Gerstners sea surface shows verticalskewness of sea waves, it is sharper at the crest and flatter at the trough than linear waves, and its maximum slope position is closer to the crest than to the trough. Furthermore, the horizontal component of the small elementary scatterers orbit velocity on the sea surface, which yields noticeable influence on Doppler spectra, can be obtained conveniently by Gerstners sea surface model. In this study the characteristics of Doppler spectra of backscattered fields from time-varying Gerstners sea surface are investigated and the dependences of the Doppler frequency and the Doppler bandwidth on the parameters, such as the wind speed, the radar frequency, the incident angle, etc. are discussed. It is shown that the Doppler bandwidth of microwave scattered fields from Gerstners sea surface is considerably broadened. For the case of high frequency backscattered fields, the values of the higher-order spectrum peaks are larger than those obtained by linear sea surface.

Dynamics of Rabi model under second-order Born Oppenheimer approximation

We apply the second-order Born-Oppenheimer （BO） approximation to investigate the dynamics of the Rabi model, which describes the interaction between a two-level system and a single bosonic mode beyond the rotating wave approxi- mation. By comparing with the numerical results, we find that our approach works well when the frequency of the two-level system is much smaller than that of the bosonic mode.

Study of(e,2e) process on potassium at 6 e V-60 eV above threshold in a second-order Born approximation

The standard distorted wave Born approximation （DWBA） method has been extended to second-order Born amplitude in order to describe the multiple interactions between the projectile and the atomic target. Second-order DWBA calculations have been preformed to investigate the triple differential cross sections （TDCS） of coplanar doubly symmetric （e, 2e） collisions for the alkali target potassium at excess energies of 6 eV-60 eV. Compared with the previous first-order DWBA calculations, the present theoretical model improves the degree of agreement with experiments, especially for the backward scattering angle region of TDCS. This indicates that the present second-order Born term is capable of giving a reasonable correction to the DWBA model in studying coplanar symmetric （e, 2e） problems in low and intermediate energy ranges.

ON APPROXIMATION OF A FUNCTION AND ITS DERIVATIVES BY A POLYNOMIAL AND ITS DERIVATIVES

Let g∈C^q[-1, 1] be such that g^((k))(±1)=0 for k=0,…,q. Let P_n be an algebraic polynomial of degree at most n, such that P_n^((k))(±1)=0 for k=0,…,[_2~ (q+1)]. Then P_n and its derivatives P_n^((k)) for k≤q well approximate g and its respective derivatives, provided only that P_n well approxi- mates g itself in the weighted norm ‖g(x)-P_n(x) (1-x^2)^(1/2)~q‖ This result is easily extended to an arbitrary f∈C^q[-1, 1], by subtracting from f the polynomial of minnimal degree which interpolates f^((0))…,f^((q)) at±1. As well as providing easy criteria for judging the simultaneous approximation properties of a given Polynomial to a given function, our results further explain the similarities and differences between algebraic polynomial approximation in C^q[-1, 1] and trigonometric polynomial approximation in the space of q times differentiable 2π-periodic functions. Our proofs are elementary and basic in character, permitting the construction of actual error estimates for simultaneous approximation proedures for small values of q.

2D-QSAR Studies on Anthranilic Acid Derivatives: A Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase

Quantitative structure activity relationship （QSAR） studies were performed on 45 anthranilic acid derivatives for their potent allosteric inhibition activities of HCV NSSB polymerase. Genetic algorithm based genetic function approximation （GFA） method of variable selection was used to generate the model. Highly statistically significant model with r^2 = 0.966 and r^2cv = 0.951 was obtained when the number of descriptors in the equation was set to 5. High r^2pred value of 0.884 indicates the good predictive power of the best model. Spatial descriptors of radius of gyration （RadOfGration）, molecular volume （Vm）, length of molecule in the z dimension （Shadow-Zlength）, thermodynamic descriptors of the octanol/water partition coefficient （LogP） and molecular refractivity index （MR） showed enormous contributions to HCV NS5B polymerase inhibition. The validation of the model was done by leave-one-out （LOO） test, randomization tests and external test set prediction. The model gives insight on indispensable structural requirements for the activity and can be used to design more potent analogs against HCV NSSB polymerase.

Two parametric approaches for eigenstructure assignment in second-order linear systems

This paper considers eigenstructure assignment in second-order linear systems via proportional plus derivative feedback. It is shown that the problem is closely related to a type of so-called second-order Sylvester matrix equations. Through establishing two general parametric solutions to this type of matrix equations, two complete parametric methods for the proposed eigenstructure assignment problem are presented. Both methods give simple complete parametric expressions for the feedback gains and the closed-loop eigenvector matrices. The first one mainly depends on a series of singular value decompositions, and is thus numerically simple and reliable; the second one utilizes the right factorization of the system, and allows the closed-loop eigenvalues to be set undetermined and sought via certain optimization procedures. An example shows the effectiveness of the proposed approaches. Keywords Second-order linear systems - Eigenstructure assignment - Proportional plus derivative feedback - Parametric solution - Singular value decompoition - Right factorization This work was supported in part by the Chinese Outstanding Youth Foundation (No.69504002).

The Odd-Point Ternary Approximating Schemes

We present a general formula to generate the family of odd-point ternary approximating subdivision schemes with a shape parameter for describing curves. The influence of parameter to the limit curves and the sufficient conditions of the continuities from C0 to C5 of 3- and 5-point schemes are discussed. Our family of 3-point and 5-point ternary schemes has higher order of derivative continuity than the family of 3-point and 5-point schemes presented by [Jian-ao Lian, On a-ary subdivision for curve design: II. 3-point and 5-point interpolatory schemes, Applications and Applied Mathematics: An International Journal, 3(2), 2008, 176-187]. Moreover, a 3-point ternary cubic B-spline is special case of our family of 3-point ternary scheme. The visual quality of schemes with examples is also demonstrated.

A Paradoxical Consistency Between Dynamic and Conventional Derivatives on Hybrid Grids

It has been evident that the theory and methods of dynamic derivatives are playing an increasingly important role in hybrid modeling and computations. Being constructed on various kinds of hybrid grids, that is, time scales, dynamic derivatives offer superior accuracy and flexibility in approximating mathematically important natural processes with hard-to-predict singularities, such as the epidemic growth with unpredictable jump sizes and option market changes with high uncertainties, as compared with conventional derivatives. In this article, we shall review the novel new concepts, explore delicate relations between the most frequently used second-order dynamic derivatives and conventional derivatives. We shall investigate necessary conditions for guaranteeing the consistency between the two derivatives. We will show that such a consistency may never exist in general. This implies that the dynamic derivatives provide entirely different new tools for sensitive modeling and approximations on hybrid grids. Rigorous error analysis will be given via asymptotic expansions for further modeling and computational applications. Numerical experiments will also be given.

Second-order Born calculation of coplanar symmetric(e, 2e) process on Mg

The second-order distorted wave Born aPl6roximation （DWBA） method is employed to investigate the triple differen- tial cross sections （TDCS） of coplanar doubly symmetric （e, 2e） collisions for magnesium at excess energies of 6 eV-20 eV. Comparing with the standard first-order DWBA calculations, the inclusion of the second-order Born term in the scattering amplitude improves the degree of agreement with experiments, especially for backward scattering region of TDCS. This indicates that the present second-order Born term is capable to give a reasonable correction to DWBA model in studying coplanar symmetric （e, 2e） problems of two-valence-electron target in low energy range.

ZINDO-SOS Studies on Second-order Nonlinear Optical Properties of Thiophene S,S-Dioxide Chromophores

The second-order nonlinear optical properties of thiophene S,S -dioxides derivatives were studied by using the ZINDO-SOS method. The computed results show that the thiophene S,S -dioxide derivatives exhibit larger second-order polarizabilities than their thiophene precursors. In order to clarify the origin of the different NLO responses among these chromophores, their electron properties and frontier orbital properties were investigated as well. These thiophene S,S -dioxides derivatives are good candidates for their application in electro-optical device due to their high nonlinearities, good thermal and photo stabilities.

On Second-order Sufficient Conditions in Constrained Nonsmooth Optimization

In this paper, we establish a second-order sufficient condition for constrained optimization problems of a class of so called t-stable functions in terms of the first-order and the second-order Dini type directional derivatives. The result extends the corresponding result of [D. Bednarik and K. Pastor, Math. Program. Ser. A, 113（2008）, 283-298] to constrained optimization problems.

Effect of Substituting Group on the Calculated Nonlinear Second－Order Optical Susceptibilities of Substituted Thiophene Derivatives with Quinoidlike Conformation

alculations of the nonlinear second-order optical susceptlbilities(β_(ijk))for sub- stituted tl1iophene derivative;with quinoidlike conformation are reported.These systetems possess small dipole moment;and large differences between dipole mo- ments of ground and first-excited states.Geometry optimizations of the molecules investigated were carried out using AM 1 method.The calculations were performed using INDO/CI method comboned with a sum-over-states expression for β_(jik). The calculated results sbw that the second-order susceptibility is a function of the na- ture and location of substituents and is larger for disubstituted molecules than monosubstituted molecules. Bipolymeric thiophenemetmne with NH_2/NO_2 groups was calctilated to have a β_μof 79. 920 × 10￣(-30) esu. It was found that the NH_2 and NO_2 groups in above disubstituted molecules are pull-pull groups in ground states,but are usual push-pull groups in the first excited states.

ON SIMULTANEOUS APPROXIMATION TO A DIFFERENTIABLE FUNCTION AND ITS DERIVATIVE BY INVERSE PAL-TYPE INTERPOLATION POLYNOMIALS

Let ξn-1<ξn-2 <ξn-2 <… < ξ1 be the zeros of the the (n -1)-th Legendre polynomial Pn-1(x) and - 1 = xn < xn-1 <… < x1 = 1 the zeros of the polynomial W n(x) =- n(n - 1) Pn-1(t)dt = (1 -x2)P'n-1(x). By the theory of the inverse Pal-Type interpolation, for a function f(x) ∈ C[-1 1], there exists a unique polynomial Rn(x) of degree 2n - 2 (if n is even) satisfying conditions Rn(f,ξk) = f(∈ek)(1≤ k≤ n - 1) ;R'n(f,xk) = f'(xk)(1≤ k≤ n). This paper discusses the simultaneous approximation to a differentiable function f by inverse Pal-Type interpolation polynomial {Rn(f,x)} (n is even) and the main result of this paper is that if f ∈ C'[1,1], r≥2, n≥ + 2> and n is even thenholds uniformly for all x ∈ [- 1,1], where h(x) = 1 +

Approximate derivative-dependent functional variable separation for quasi-linear diffusion equations with a weak source

By using the approximate derivative-dependent functional variable separation approach, we study the quasi-linear diffusion equations with a weak source ut = （A（u）Ux）x ＋ eB（u, Ux）. A complete classification of these perturbed equations which admit approximate derivative-dependent functional separable solutions is listed. As a consequence, some approxi- mate solutions to the resulting perturbed equations are constructed via examples.