Statistical analysis of the estimation of distance measures

Distance functions serve for quantitative evaluation of the degree of similarity, shape content, symmetry, chirality, and so on. We have developed a general methodology and a general computational tool for the estimation of the value of the distance function and of the error in that estimation, which originates in the experimental uncertainty in the location of the set of points of the studied structure (such as that expressed by the atomic displacement factor in X-ray data analysis).     

Application of Padé via Lanczos approximations for efficient multifrequency solution of Helmholtz problems

This paper addresses the efficient solution of acoustic problems in which the primary interest is obtaining the solution only on restricted portions of the domain but over a wide range of frequencies. The exterior acoustics boundary value problem is approximated using the finite element method in combination with the Dirichlet-to-Neumann (DtN) map. The restriction domain problem is formally posed in transfer function form based on the finite element solution. In order to obtain the solution over a range of frequencies, a matrix-valued Padé approximation of the transfer function is employed, using a two-sided block Lanczos algorithm. This approach provides a stable and efficient representation of the Padé approximation. In order to apply the algorithm, it is necessary to reformulate the transfer function due to the frequency dependency in the nonreflecting boundary condition. This is illustrated for the case of the DtN boundary condition, but there is no restriction on the approach which can also be applied to other radiation boundary conditions. Numerical tests confirm that the approach offers significant computational speed-up.     

Fourier inversion for multidimensional characteristic functions

A density functionf(x),xR ⁿ is said to bepiecewise smooth if for eachxR ⁿ , the mean value function is piecewiseC with compact support. (d is normalized surface measure on the unit sphere). The Fourier transform is with spherical partial sum . Theorem. For suchf, lim _r f _R (x)=M ₀+f(x) if and only ifrM _r f(x) hask=[(n–3)/2] continuous derivatives. ([]=integer part). Otherwise we have lim where 0 is uniquely determined.     

Finite element modeling of acousto-mechanical coupling in the cat middle ear

The function of the middle ear is to transfer acoustic energy from the ear canal to the cochlea. An essential component of this system is the tympanic membrane. In this paper, a new finite element model of the middle ear of the domestic cat is presented, generated in part from cadaver anatomy via microcomputed tomographic imaging. This model includes a layered composite model of the eardrum, fully coupled with the acoustics in the ear canal and middle-ear cavities. Obtaining the frequency response from 100 Hz to 20 kHz is a computationally challenging task, which has been accomplished by using a new adaptive implementation of the reduced-order matrix Padé-via-Lanczos algorithm. The results are compared to established physiological data. The fully coupled model is applied to study the role of the collagen fiber sublayers of the eardrum and to investigate the relationship between the structure of the middle-ear cavities and its function. Three applications of this model are presented, demonstrating the shift in the middle-ear resonance due to the presence of the septum that divides the middle-ear cavity space, the significance of the radial fiber layer on high frequency transmission, and the importance of the transverse shear modulus in the eardrum microstructure.     

Influence of preadsorbed polyelectrolytes on hydrophobic properties of synthetic aluminosilicates

The influence of preadsorbed polyelectrolyte layers on the hydrophilic-hydrophobic properties of synthetic aluminosilicates of a given composition was studied by determining the heat of wetting and considering the respective thermographic data. It was shown that the interactions of polyelectrolytes follow the mechanisms of physical adsorption with the negatively charged sites of the aluminosilicate surface and the mechanism of activated chemisorption with the positively charged sites. It was concluded that cluster mineral-organic structures formed on the modified gels significantly alter physical and chemical properties of their surface, its wettability, and structural-sorption characteristics.     

Analytical methods for calculating Continuous Symmetry Measures and the Chirality Measure

We provide analytical solutions of the Continuous Symmetry Measure (CSM) equation for several symmetry point-groups, and for the associated Continuous Chirality Measure (CCM), which are quantitative estimates of the degree of a symmetry-point group or chirality in a structure, respectively. We do it by solving analytically the problem of finding the minimal distance between the original structure and the result obtained by operating on it all of the operations of a specific G symmetry point group. Specifically, we provide solutions for the symmetry measures of all of the improper rotations point group symmetries, S(n), including the mirror (S(1), C(S)), inversion (S(2), C(i)) as well as the higher S(n)s (n > 2 is even) point group symmetries, for the rotational C(2) point group symmetry, for the higher rotational C(n) symmetries (n > 2), and finally for the C(nh) symmetry point group. The chirality measure is the minimal of all S(n) measures.