Search results for " Computational"
showing 10 items of 661 documents
H−ZSM-5 Modified Zeolite: Quantum Chemical Models of Acidic Sites
2007
A ZSM-5 fragment, containing 52 tetrahedral moieties, each of them formed by one silicon or one aluminum atom surrounded by four oxygen atoms, was employed to model (52T systems) by quantum chemical calculations (i) the influence of the positions of the acidic sites on the energetics of 22 aluminum monosubstituted and bisubstituted 52T acidic zeolite (H-ZSM-5) systems and (ii) the local adsorption properties and acidic strength of the corresponding -OH sites. The energetics and the structural properties of simpler acid H-ZSM-5 systems containing only five Tetrahedral moieties (5T systems) were also modeled for comparison. B3LYP/6-31G(d,p) partial geometry optimization routines were performe…
Comments on “Finite-Time $H_{\infty }$ Fuzzy Control of Nonlinear Jump Systems With Time Delays Via Dynamic Observer-Based State Feedback”
2014
This paper investigates a defect appearing in “Finite-time H∞ fuzzy control of nonlinear jump systems with time delays via dynamic observer-based state feedback,” which the observer-based finite-time H∞ controller via dynamic observer-based state feedback could not ensuring stochastic finite-time boundedness, and satisfying a prescribed level of H∞ disturbance attenuation for the resulting closed-loop error fuzzy Markov jump systems. The corrected results are presented, and the improved optimal algorithms and new simulation results are also provided in this paper.
Guaranteed lower bounds for cost functionals of time-periodic parabolic optimization problems
2019
In this paper, a new technique is shown for deriving computable, guaranteed lower bounds of functional type (minorants) for two different cost functionals subject to a parabolic time-periodic boundary value problem. Together with previous results on upper bounds (majorants) for one of the cost functionals, both minorants and majorants lead to two-sided estimates of functional type for the optimal control problem. Both upper and lower bounds are derived for the second new cost functional subject to the same parabolic PDE-constraints, but where the target is a desired gradient. The time-periodic optimal control problems are discretized by the multiharmonic finite element method leading to lar…
Comparison of Numerical Methods in the Contrast Imaging Problem in NMR
2013
International audience; In this article, the contrast imaging problem in nuclear magnetic resonance is modeled as a Mayer problem in optimal control. A first synthesis of locally optimal solutions is given in the single-input case using geometric methods based on Pontryagin's maximum principle. We then compare these results using direct methods and a moment-based approach, and make a first step towards global optimality. Finally, some preliminary results are given in the bi-input case.
Non-intersecting Complexity
2006
A new complexity measure for Boolean functions is introduced in this article. It has a link to the query algorithms: it stands between both polynomial degree and non-deterministic complexity on one hand and still is a lower bound for deterministic complexity. Some inequalities and counterexamples are presented and usage in symmetrisation polynomials is considered.
PenRed: An extensible and parallel Monte-Carlo framework for radiation transport based on PENELOPE
2021
Monte Carlo methods provide detailed and accurate results for radiation transport simulations. Unfortunately, the high computational cost of these methods limits its usage in real-time applications. Moreover, existing computer codes do not provide a methodology for adapting these kind of simulations to specific problems without advanced knowledge of the corresponding code system, and this restricts their applicability. To help solve these current limitations, we present PenRed, a general-purpose, stand-alone, extensible and modular framework code based on PENELOPE for parallel Monte Carlo simulations of electron-photon transport through matter. It has been implemented in C++ programming lan…
On the local and semilocal convergence of a parameterized multi-step Newton method
2020
Abstract This paper is devoted to a family of Newton-like methods with frozen derivatives used to approximate a locally unique solution of an equation. We perform a convergence study and an analysis of the efficiency. This analysis gives us the opportunity to select the most efficient method in the family without the necessity of their implementation. The method can be applied to many type of problems, including the discretization of ordinary differential equations, integral equations, integro-differential equations or partial differential equations. Moreover, multi-step iterative methods are computationally attractive.
SPECIAL SPLINES OF HYPERBOLIC TYPE FOR THE SOLUTIONS OF HEAT AND MASS TRANSFER 3-D PROBLEMS IN POROUS MULTI-LAYERED AXIAL SYMMETRY DOMAIN
2017
In this paper we study the problem of the diffusion of one substance through the pores of a porous multi layered material which may absorb and immobilize some of the diffusing substances with the evolution or absorption of heat. As an example we consider circular cross section wood-block with two layers in the radial direction. We consider the transfer of heat process. We derive the system of two partial differential equations (PDEs) - one expressing the rate of change of concentration of water vapour in the air spaces and the other - the rate of change of temperature in every layer. The approximation of corresponding initial boundary value problem of the system of PDEs is based on the cons…
Partial isometries and the conjecture of C.K. Fong and S.K. Tsui
2016
Abstract We investigate some bounded linear operators T on a Hilbert space which satisfy the condition | T | ≤ | Re T | . We describe the maximum invariant subspace for a contraction T on which T is a partial isometry to obtain that, in certain cases, the above condition ensures that T is self-adjoint. In other words we show that the Fong–Tsui conjecture holds for partial isometries, contractive quasi-isometries, or 2-quasi-isometries, and Brownian isometries of positive covariance, or even for a more general class of operators.
Numerical range and positive block matrices
2020
We obtain several norm and eigenvalue inequalities for positive matrices partitioned into four blocks. The results involve the numerical range $W(X)$ of the off-diagonal block $X$, especially the distance $d$ from $0$ to $W(X)$. A special consequence is an estimate, $$\begin{eqnarray}\text{diam}\,W\left(\left[\begin{array}{@{}cc@{}}A & X\\ X^{\ast } & B\end{array}\right]\right)-\text{diam}\,W\biggl(\frac{A+B}{2}\biggr)\geq 2d,\end{eqnarray}$$ between the diameters of the numerical ranges for the full matrix and its partial trace.