Adsorption of argon and nitrogen in cylindrical pores of MCM-41 materials: application of density functional theory

Adsorption of argon and nitrogen at their respective boiling points in cylindrical pores of MCM-41 type silica-like adsorbents is studied by means of a non-local density functional theory (NLDFT), which is modified to deal with amorphous solids. By matching the theoretical results of the pore filling pressure versus pore diameter against the experimental data, we arrive at a conclusion that the adsorption branch (rather than desorption) corresponds to the true thermodynamic equilibrium. If this is accepted, we derive the optimal values for the solid-fluid molecular parameters for the system amorphous silica-Ar and amorphous silica-N₂, and at the same time we could derive reliably the specific surface area of non-porous and mesoporous silica-like adsorbents, without a recourse to the BET method. This method is then logically extended to describe the local adsorption isotherms of argon and nitrogen in silica-like pores, which are then used as the bases (kernel) to determine the pore size distribution. We test this with a number of adsorption isotherms on the MCM-41 samples, and the results are quite realistic and in excellent agreement with the XRD results, justifying the approach adopted in this paper.     

On the Hyers-Ulam-Rassias stability of functional equations in n-variables

In this paper we investigate a generalization of the Hyers-Ulam-Rassias stability for a functional equation of the form f(φ(X))=?(X)f(X)+ψ(X) and the stability in the sense of Ger for the functional equation of the form f(φ(X))=?(X)f(X), where X lie in n-variables. As a consequence, we obtain a stability result in the sense of Hyers-Ulam-Rassias, Gǎvruta, and Ger for some well-known equations such as the gamma, beta, and G-function type's equations.     

First order dynamic inclusions on time scales

In this paper, we study existence of solutions of first order dynamic inclusions on time scales with general boundary conditions. Both the ∇-derivative and Δ-derivative cases are considered. Examples are presented to illustrate that the Δ-derivative case needs more restrictive assumptions.     

Existence results for second order boundary value problem of impulsive dynamic equations on time scales

In this paper, Schaefer's fixed point theorem and nonlinear alternative of Leray-Schauder type are used to investigate the existence of solutions for second order boundary value problem for impulsive dynamic equations on time scales.     

Functional calculus for non-commuting operators with real spectra via an iterated Cauchy formula

We define a smooth functional calculus for a non-commuting tuple of (unbounded) operators A_j on a Banach space with real spectra and resolvents with temperate growth, by means of an iterated Cauchy formula. The construction is also extended to tuples of more general operators allowing smooth functional calculii. We also discuss the relation to the case with commuting operators.     

An existence theorem for neutral variational problems of Bolza

This note proves an existence theorem for a generalized Bolza-type problem that has time delays in both the state and velocity variables. The assumptions are stated in terms of a modification of the classical Hamiltonian, and extend ideas of Rockafellar to the delay case.     

A first-principles study of surface and subsurface H on and in Ni(1 1 1): diffusional properties and coverage-dependent behavior

Periodic, self-consistent, density functional theory (GGA-PW91) calculations are performed for both surface and subsurface atomic hydrogen on and in Ni(1 1 1). At a low coverage (θ=0.25 ML), the binding energies (BEs) of a hydrogen atom in surface fcc, subsurface octahedral (first layer), and subsurface octahedral (second layer) sites are −2.89, −2.18, and −2.11 eV, respectively. The activation energy barriers for hydrogen diffusion from the surface to the first subsurface layer and from the first to the second subsurface layer are estimated to be 0.88 and 0.52 eV, respectively. In the entire coverage range studied, hydrogen occupies surface fcc and hcp sites and subsurface octahedral sites. In addition, the magnitude of the BE per hydrogen atom and the magnetization of the nickel slabs both decrease as hydrogen coverage increases. Vibrational frequencies of hydrogen at various surface and subsurface sites are calculated and are in reasonable agreement with experimental data. A phase stability calculation with a 2 × 2 surface unit cell shows that a p(2 × 2)-2H overlayer structure (θ=0.5 ML) and a p(1 × 1)-1H structure (θ=1.0 ML) are stable at low hydrogen pressures, in agreement with numerous experimental results. A very large increase in pressure is required to populate subsurface sites. After such an increase occurs, the first subsurface layer is filled completely.     

Hypothesis testing for the generalized multivariate modified Bessel model

In this paper, we consider hypothesis testing problems in which the involved samples are drawn from generalized multivariate modified Bessel populations. This is a much more general distribution that includes both the multivariate normal and multivariate-t distributions as special cases. We derive the distribution of the Hotelling's T²-statistic for both the one- and two-sample problems, as well as the distribution of the Scheffe's T²-statistic for the Behrens–Fisher problem. In all cases, the non-null distribution of the corresponding F-statistic follows a new distribution which we introduce as the non-central F-Bessel distribution. Some statistical properties of this distribution are studied. Furthermore, this distribution was utilized to perform some power calculations for tests of means for different models which are special cases of the generalized multivariate modified Bessel distribution, and the results compared with those obtained under the multivariate normal case. Under the null hypothesis, however, the non-central F-Bessel distribution reduces to the central F-distribution obtained under the classical normal model.     

HILBERTIAN INVARIANCE PRINCIPLE FOR EMPIRICAL PROCESS ASSOCIATED WITH A MARKOV PROCESS

The authors establish the Hilbertian invariance principle for the empirical process of a stationary Markov process, by extending the forward-backward martingale decomposition of Lyons-Meyer-Zheng to the Hilbert space valued additive functionals associated with general non-reversible Markov processes.     

Some functional equations originating from number theory

We will introduce new functional equations (3) and (4) which are strongly related to well-known formulae (1) and (2) of number theory, and investigate the solutions of the equations. Moreover, we will also study some stability problems of those equations.