Study of relaxor-like behaviour of laser ablated (Pb, La)Tio3 thin films

Lanthanum modified lead titanate (PLT) thin films are one of the potential candidates for the pyroelectric and memory applications due to their excellent dielectric, pyroelectric and ferroelectric properties. PLT thin films with 25 at.% of La were deposited on platinum coated Si substrates by the laser ablation technique. The phase transition studies were done in the temperature range of −40 to 150 °C as a function of frequency and ac field. A diffused phase transition with the shifting of the maximum dielectric permittivity (?_max) to higher temperatures with the increase of frequency and dielectric dispersion with frequency at the lower temperatures were observed. The variation of the temperature corresponding to maximum dielectric constant T_m, with frequency follows the Vogel-Fulcher relation, which is the characteristic of the relaxor-like behavior of the material. With the increase of ac drive, the T_max was shifted to lower value.     

质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多     

On integers of the forms k−2 and k2+1

In this paper we prove that if (r,12)?3, then the set of positive odd integers k such that k^r−2ⁿ has at least two distinct prime factors for all positive integers n contains an infinite arithmetic progression. The same result corresponding to k^r2ⁿ+1 is also true.     

A preconditioned domain decomposition algorithm for the solution of the elliptic Neumann problem

A new preconditioned conjugate gradient (PCG)-based domain decomposition method is given for the solution of linear equations arising in the finite element method applied to the elliptic Neumann problem. The novelty of the proposed method is in the recommended preconditioner which is constructed by using cyclic matrix. The resulting preconditioned algorithms are well suited to parallel computation.     

A Hilbert Space Approach to Bounded Analytic Interpolation

We generalize several results on bounded analytic interpolation of Fitzgerald and Horn, which work by majorization by positive definite kernels, to the cases of several complex variables and operator-valued interpolation. Using a lemma of Kolmogorov, we complement a simplification due to Szafraniec in the proofs of the theorems. Received: November 21, 2006. Accepted: August 03, 2007.     

Semi-implicit complementary volume scheme for solving level set like equations in image processing and curve evolution

Summary. We introduce linear semi-implicit complementary volume numerical scheme for solving level set like nonlinear degenerate diffusion equations arising in image processing and curve evolution problems. We study discretization of image selective smoothing equation of mean curvature flow type given by Alvarez, Lions and Morel ([3]). Solution of the level set equation of Osher and Sethian ([26], \[30]) is also included in the study. We prove and estimates for the proposed scheme and give existence of its (generalized) solution in every discrete time-scale step. Efficiency of the scheme is given by its linearity and stability. Preconditioned iterative solvers are used for computing arising linear systems. We present computational results related to image processing and plane curve evolution. Received April 25, 2000 / Revised version received June 11, 2001 / Published online November 15, 2001     

On the bidirectional vortex and other similarity solutions in spherical coordinates

The bidirectional vortex refers to the bipolar, coaxial swirling motion that can be triggered, for example, in cyclone separators and some liquid rocket engines with tangential aft-end injectors. In this study, we present an exact solution to describe the corresponding bulk motion in spherical coordinates. To do so, we examine both linear and nonlinear solutions of the momentum and vorticity transport equations in spherical coordinates. The assumption will be that of steady, incompressible, inviscid, rotational, and axisymmetric flow. We further relate the vorticity to some power of the stream function. At the outset, three possible types of similarity solutions are shown to fulfill the momentum equation. While the first type is incapable of satisfying the conditions for the bidirectional vortex, it can be used to accommodate other physical settings such as Hill’s vortex. This case is illustrated in the context of inviscid flow over a sphere. The second leads to a closed-form analytical expression that satisfies the boundary conditions for the bidirectional vortex in a straight cylinder. The third type is more general and provides multiple solutions. The spherical bidirectional vortex is derived using separation of variables and the method of variation of parameters. The three-pronged analysis presented here increases our repertoire of general mean flow solutions that rarely appear in spherical geometry. It is hoped that these special forms will permit extending the current approach to other complex fluid motions that are easier to capture using spherical coordinates.     

The category of varieties and interpretations is alg-universal

A category is said to be alg-universal if every category of universal algebras can be fully embedded into it. We prove here that the category of varieties and interpretations, or in other words, the category of abstract clones and clone homomorphisms, is alg-universal.     

Applications of density functional theory methods in millimeter‐wave spectroscopy

Density functional theory (DFT), using the most common functionals, and ab initio quantum chemistry methods are used to calculate the rotational constants and dipole moments of the astrophysically important molecules HCN, CH₃CN, CH₃CNH⁺, HCCCN, and HCCNC. As far as millimeter‐wave spectroscopy is of interest the DFT methods performed well with most functionals, giving results within ±1% of experiments for rotational constants and ±3% for dipole moments. Analyzing the results obtained with all theoretical models, it may be concluded that the Becke's three‐parameter exchange functional and the gradient‐corrected functional of Lee, Yang, and Paar (B3LYP) and Becke's three‐parameter functional with Perdew–Wang correlational functional [B3PW91/6‐31G(d, p)] give the best performances. A detailed analysis of the electron correlation effects shows that HCCCN is more stable than is HCCNC, by 1.16 eV, with important contribution arising from triple excitations. This result is also compared with those obtained with DFT methods. Despite occasional difficulties, DFT with the currently available functionals are of great utility in quickly assessing spectroscopic parameters of astrophysical interest. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003