Search

Currently, the largest ( r a max = 19.9 Å) and by far the most complicated (234 atoms, C1 symmetry, 696 independent geometrical parameters, and 27 261 interatomic terms) experimental molecular structure of a cage-type Si6Tip6 (Tip = 2,4,6-iPr3C6H2) isomer has been investigated in the gas phase by the electron diffraction method (Tav = 645 K) supplemented with theoretical simulations. A detailed analysis of the current possibilities for experimentally investigating large molecular structures is performed. A series of density functional theory approximations and the role of dispersion interactions have been benchmarked using the obtained data. Based on the refined geometry of Si6Tip6, various quantum-chemical methods have been applied for the investigation of the electronic structure of its Si6 core. In particular, natural bond orbital, quantum theory of atoms in molecules, interacting quantum atoms, fractional occupation number weighted density, and complete active space self-consistent field (CASSCF) methods were utilized. The diradical character of the molecule has been assessed by the UHF and CASSCF approximations. The problem of bonding between the hemispheroidal silicon atoms has been investigated. [ABSTRACT FROM AUTHOR]

Currently, the largest ( r a max = 19.9 Å) and by far the most complicated (234 atoms, C1 symmetry, 696 independent geometrical parameters, and 27 261 interatomic terms) experimental molecular structure of a cage-type Si6Tip6 (Tip = 2,4,6-iPr3C6H2) isomer has been investigated in the gas phase by the electron diffraction method (Tav = 645 K) supplemented with theoretical simulations. A detailed analysis of the current possibilities for experimentally investigating large molecular structures is performed. A series of density functional theory approximations and the role of dispersion interactions have been benchmarked using the obtained data. Based on the refined geometry of Si6Tip6, various quantum-chemical methods have been applied for the investigation of the electronic structure of its Si6 core. In particular, natural bond orbital, quantum theory of atoms in molecules, interacting quantum atoms, fractional occupation number weighted density, and complete active space self-consistent field (CASSCF) methods were utilized. The diradical character of the molecule has been assessed by the UHF and CASSCF approximations. The problem of bonding between the hemispheroidal silicon atoms has been investigated. [ABSTRACT FROM AUTHOR]

The accuracy of orbital-free density functional theory depends on the approximations made for a Kinetic Energy (KE) functional. Until now, the most accurate KEDFs are based on non-local kernels constructed from the linear response theory of homogeneous electron gas. In this work, we explore beyond the HEG by employing a more general kernel based on the jellium-with-gap model (JGM). The proposed functional incorporates several new features, such as (i) having the correct low momentum(q) limit of the response function for metals and semiconductors without any modeling term, (ii) the underlying kernel is density-independent, and most importantly, (iii) parameter-free. The accuracy and efficiency of the proposed JGM NL-KEDF have been demonstrated for several semiconductors and metals. The encouraging results indicate the utility and predictive power of the JGM kernel for NL KEDF developments. This approach is also physically appealing and practically useful as we have presented a general formalism to incorporate the gap kernel in all existing Lindhard-based functionals. [ABSTRACT FROM AUTHOR]

A major difficulty in quantum simulation is the adequate treatment of a large collection of entangled particles, synonymous with electron correlation in electronic structure theory, with coupled cluster (CC) theory being the leading framework for dealing with this problem. Augmenting computationally affordable low-rank approximations in CC theory with a perturbative account of higher-rank excitations is a tractable and effective way of accounting for the missing electron correlation in those approximations. This is perhaps best exemplified by the "gold standard" CCSD(T) method, which bolsters the baseline CCSD with the effects of triple excitations using considerations from many-body perturbation theory (MBPT). Despite this established success, such a synergy between MBPT and the unitary analog of CC theory (UCC) has not been explored. In this work, we propose a similar approach wherein converged UCCSD amplitudes are leveraged to evaluate energy corrections associated with triple excitations, leading to the UCCSD[T] method. In terms of quantum computing, this correction represents an entirely classical post-processing step that improves the energy estimate by accounting for triple excitation effects without necessitating new quantum algorithm developments or increasing demand for quantum resources. The rationale behind this choice is shown to be rigorous by studying the properties of finite-order UCC energy functionals, and our efforts do not support the addition of the fifth-order contributions as in the (T) correction. We assess the performance of these approaches on a collection of small molecules and demonstrate the benefits of harnessing the inherent synergy between MBPT and UCC theories. [ABSTRACT FROM AUTHOR]

Modeling excited state processes in molecular crystals is relevant for several applications. A popular approach for studying excited state molecular crystals is to use cluster models embedded in point charges. In this paper, we compare the performance of several embedding models in predicting excited states and S1–S0 optical gaps for a set of crystals from the X23 molecular crystal database. The performance of atomic charges based on ground or excited states was examined for cluster models, Ewald embedding, and self-consistent approaches. We investigated the impact of various factors, such as the level of theory, basis sets, embedding models, and the level of localization of the excitation. We consider different levels of theory, including time-dependent density functional theory and Tamm–Dancoff approximation (TDA) (DFT functionals: ωB97X-D and PBE0), CC2, complete active space self-consistent field, and CASPT2. We also explore the impact of selection of the QM region, charge leakage, and level of theory for the description of different kinds of excited states. We implemented three schemes based on distance thresholds to overcome overpolarization and charge leakage in molecular crystals. Our findings are compared against experimental data, G0W0-BSE, periodic TDA, and optimally tuned screened range-separated functionals. [ABSTRACT FROM AUTHOR]

Gaussian Approximation Potentials (GAPs) are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software implementation provides the means for both fitting models using ab initio data and using the resulting potentials in atomic simulations. Details of the GAP theory, algorithms and software are presented, together with detailed usage examples to help new and existing users. We review some recent developments to the GAP framework, including Message Passing Interface parallelisation of the fitting code enabling its use on thousands of central processing unit cores and compression of descriptors to eliminate the poor scaling with the number of different chemical elements. [ABSTRACT FROM AUTHOR]

Describing analytically the transport properties of electrolytes, such as their conductivity or the self-diffusion of the ions, has been a central challenge of chemical physics for almost a century. In recent years, this question has regained some interest in light of Stochastic Density Field Theory (SDFT) – an analytical framework that allows the approximate determination of density correlations in fluctuating systems. In spite of the success of this theory to describe dilute electrolytes, its extension to concentrated solutions raises a number of technical difficulties, and requires simplified descriptions of the short-range repulsion between the ions. In this article, we discuss recent approximations that were proposed to compute the conductivity of electrolytes, in particular truncations of Coulomb interactions at short distances. We extend them to another observable (the self-diffusion coefficient of the ions) and compare them to earlier analytical approaches, such as the mean spherical approximation and mode-coupling theory. We show how the treatment of hydrodynamic effects in SDFT can be improved, that the choice of the modified Coulomb interactions significantly affects the determination of the properties of the electrolytes, and that comparison with other theories provides a guide to extend SDFT approaches in this context. [ABSTRACT FROM AUTHOR]

Roll coating is a popular method for applying a thin coating film to a continuous substrate, such as paper or foil. This study aims to investigate analytically the fluid flow through counter rotating rolls using a non-Newtonian model. The governing equation for the constitutive of the Oldroyd-B as a non-Newtonian fluid with momentum equation has been discovered. The nondimensionalizing of the fluid flow equations is done by using suitable dimensionless parameters. The equations are then simplified by using Lubrication Approximation Theory (LAT) to obtain the solution for various quantities. Analytical solutions for the velocity distribution, pressure and pressure gradients have been obtained by regular perturbation method. Numerical integration has been used to calculate separation point, coating thickness, separation force and power input of the fluid. The effect of involved parameter such as Weissenberg number We and viscosity on velocities, pressure gradient and pressure is presented in a variety of graphs and several other results are shown in tables. It has been observed that as the modified capillary number N C a 2 increases, the separation point moves toward the nip region, whereas the coating thickness declines. It has been witnessed that the We serves as the controlling parameter for flow rate, pressure distribution and power input, whereas for the coating thickness, the separation force increases, which are important for coating industries. [ABSTRACT FROM AUTHOR]

In this article, we calculate the value-at-risk (VaR) for large portfolios in intensity models, where the idiosyncratic and systematic risk exposures as well as the impact of past default losses are subsumed into the intensity processes. The adopted method is based on the theory of saddlepoint approximation for continuous-time Markov processes whose transition densities and distribution functions can be approximated in closed forms. A simple example with theoretical and numerical results is presented in the end. [ABSTRACT FROM AUTHOR]

The article is devoted to the problem of approximation of classes of periodic functions by rectangular linear means of Fourier series. Asymptotic equalities are found for upper bounds of deviations in the uniform metric of rectangular Fejér means on classes of periodic functions of several variables generated by sequences that tend to zero at the rate of geometric progression. In one-dimensional cases, these classes consist of Poisson integrals, namely functions that can be regularly extended in the fixed strip of a complex plane. [ABSTRACT FROM AUTHOR]

This paper deals with global well-posedness of the solution to the complex short pulse equation. We first use regularized technology and the approximation argument to prove the local existence and uniqueness of this equation. Then, based on conserved quantities and energy analysis, we show that the solution can be extended globally in time for suitably small initial data. [ABSTRACT FROM AUTHOR]

This study focuses on the fast finite‐time synchronization control problem for nonlinear telerobotics system with asymmetric time‐vary delays and uncertainties. A finite‐time prescribed performance function is incorporated into the backstepping control framework such that the synchronization error will remain within a predefined funnel boundary. To increase the rate of convergence, the selected error transformation function is a arctangent function. The utilization of dynamic surface control method aims to decrease computational complexity by mitigating the need for repetitive differentiation of virtual signals in the conventional backstepping algorithm. In the meantime, the non‐power approximate signals of fuzzy neural network algorithms are utilized to replace the system uncertainties, effectively addressing the passivity issue associated with time‐delayed channels. Both theoretical analysis and experimental results are present to verify that the synchronization error can converge to a small neighborhood around zero in the fast finite time and the closed‐loop system remains stable. [ABSTRACT FROM AUTHOR]

Let H be a separable Hilbert space and let { x n } be a sequence in H that does not contain any zero elements. We say that { x n } is a Bessel-normalizable or frame-normalizable sequence if the normalized sequence { x n ‖ x n ‖ } is a Bessel sequence or a frame for H, respectively. In this paper, several necessary and sufficient conditions for sequences to be frame-normalizable and not frame-normalizable are proved. Perturbation theorems for frame-normalizable sequences are also proved. As applications, we show that the Balazs–Stoeva conjecture holds for Bessel-normalizable sequences. Finally, we apply our results to partially answer the open question raised by Aldroubi et al. as to whether the iterative system { A n x ‖ A n x ‖ } n ≥ 0 , x ∈ S associated with a normal operator A : H → H and a countable subset S of H, is a frame for H. In particular, if S is finite, then we are able to show that { A n x ‖ A n x ‖ } n ≥ 0 , x ∈ S is not a frame for H whenever { A n x } n ≥ 0 , x ∈ S is a frame for H. [ABSTRACT FROM AUTHOR]

The study of rheological properties in biological fluids, influenced by electroosmosis and magnetohydrodynamic (MHD) peristaltic mechanisms, plays a vital role in designing micro‐scale biomimetic pumping systems for targeted drug delivery. Considering these significant applications, the current study focuses on the integrated analysis of electroosmotic and magnetohydrodynamic peristaltic pumping of Williamson fluid within physiological systems with variable viscosity and thermal conductivity. The dimensional momentum equations are linearized under the approximation of lubrication theory. The current study deals with the impact of various physical parameters on flow, heat transfer, and pumping characteristics. These parameters include the magnetic parameter, variable viscosity, variable thermal conductivity, Helmholtz‐Smoluchowski velocity, and so on. It is noted from the current analysis that, Helmholtz‐Smoluchowski velocity and velocity slip parameters have decreasing effect on skin friction and Sherwood number. The electroosmotic and magnetic parameters contribute to larger trapped bolus sizes. These findings contribute significantly to advancing the development of efficient micro‐scale biomimetic pumping systems tailored for precise target drug delivery applications. [ABSTRACT FROM AUTHOR]

In this paper, we describe an algorithm for fitting an analytic and bandlimited closed or open curve to interpolate an arbitrary collection of points in R 2 . The main idea is to smooth the parametrization of the curve by iteratively filtering the Fourier or Chebyshev coefficients of both the derivative of the arc-length function and the tangential angle of the curve and applying smooth perturbations, after each filtering step, until the curve is represented by a reasonably small number of coefficients. The algorithm produces a curve passing through the set of points to an accuracy of machine precision, after a limited number of iterations. It costs O(N log N) operations at each iteration, provided that the number of discretization nodes is N. The resulting curves are smooth, affine invariant, and visually appealing and do not exhibit any ringing artifacts. The bandwidths of the constructed curves are much smaller than those of curves constructed by previous methods. We demonstrate the performance of our algorithm with several numerical experiments. [ABSTRACT FROM AUTHOR]

We present a scheme for finding all roots of an analytic function in a square domain in the complex plane. The scheme can be viewed as a generalization of the classical approach to finding roots of a function on the real line, by first approximating it by a polynomial in the Chebyshev basis, followed by diagonalizing the so-called “colleague matrices.” Our extension of the classical approach is based on several observations that enable the construction of polynomial bases in compact domains that satisfy three-term recurrences and are reasonably well-conditioned. This class of polynomial bases gives rise to “generalized colleague matrices,” whose eigenvalues are roots of functions expressed in these bases. In this paper, we also introduce a special-purpose QR algorithm for finding the eigenvalues of generalized colleague matrices, which is a straightforward extension of the recently introduced structured stable QR algorithm for the classical cases (see Serkh and Rokhlin 2021). The performance of the schemes is illustrated with several numerical examples. [ABSTRACT FROM AUTHOR]

We give investigations on a kernel function approximation problem arising from learning theory and show the convergence rate from the view of classical Fourier analysis. First, we provide the general definition for a modulus of smoothness and a K -functional, and show that they are equivalent. In particular, we give explicit representation for some moduli of smoothness. Second, we establish some Jackson-type inequalities for the approximation error associated with some non-radial kernels. Also we apply these results to some concrete classical kernel function spaces and give Jackson-type inequalities for some concrete RKHS approximation problems. Finally, we apply these discussions to learning theory and describe the learning rates with the moduli of smoothness. The tools we used are Fourier analysis and the semigroup operator. The results show that the Jackson-type inequalities of approximation by some radial kernel functions on compact set with nonempty interiors cannot be expressed with the classical moduli of smoothness. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Central China Normal University is the property of Huazhong Normal University and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Today, the Radio frequency identification system is widely used in various applications on a large scale. The readers must be densely deployed in order to cover their entire work area. If the number of readers is not optimal, some readers will be redundant, which will reduce the efficiency of the whole system. In more detail, redundant readers increase system overhead, unnecessary tag-reader communication, tag collision, and reader collision, and also, decrease the lifetime of RFID networks. The redundant reader elimination problem is a process that finds the least number of readers to cover all system tags. It is proved that the redundant reader elimination problem is NP hard. One of the useful tasks in eliminating redundant readers is improving the performance of existing approximation algorithms. In this paper, we propose a distributed algorithm, the LWFO algorithm, which combines the count base algorithm (CBA) and a weighting algorithm. The simulation results show that the proposed algorithm reduces reader redundancy compared to existing algorithms also processing time is reasonable. [ABSTRACT FROM AUTHOR]

Singular integral operators play an important role in approximation theory and harmonic analysis. In this paper, we consider a weighted Lebesgue space L p , w , define a modified Gauss–Weierstrass singular integral on it, and study direct and inverse approximation properties of the operator followed by a Korovkin-type approximation theorem for a function f ∈ L p , w . We use the modulus of continuity of the functions to measure the rate of convergence. [ABSTRACT FROM AUTHOR]

Since the initial discovery of Dyakonov surface waves at a flat infinite interface of two dielectrics, at least one of which is positively anisotropic, extensive research has been conducted towards their theoretical and experimental studies in materials with positive anisotropy. The potential applications of these waves were initially limited due to the stringent conditions for their existence and the requirement for position anisotropy. In our study, we present the theoretical prediction and experimental observation of a novel type of Dyakonov surface waves that propagate along the flat strip of the interface between two dielectrics with negative anisotropy. We demonstrate that the conditions for surface waves are satisfied for negatively anisotropic dielectrics owing to the specific boundaries of the strip waveguide confined between two metallic plates. We study such modes theoretically by using the perturbation theory in the approximation of weak anisotropy and demonstrate that the electromagnetic field distribution in these modes is chiral. Experimental verification of theoretical predictions is made in the microwave range using 3D-printed negatively anisotropic water-dielectric metamaterial slabs. The existence of Dyakonov surface waves in negative crystals prompts a reassessment of the list of materials suitable for practical realization of these waves in the visible and infrared ranges. Due to the ability of the considered modes to transmit chiral light, they have potential in the sensing of chiral organic molecules. [ABSTRACT FROM AUTHOR]

The coating process is widely used in various industries to enhance the production quality and efficiency. This study gives a comprehensive analysis of non‐isothermal blade coating of non‐Newtonian nanofluid incorporating magnetic, thermophoresis, and Brownian effects. The mathematical equations derived from mass, momentum, and energy conservation laws are initially streamlined by means of lubrication approximation theory (LAT). Subsequently, these dimensionless equations are solved in dimensionless form numerically using fourth order Runge–Kutta and Newton–Raphson methods. This study includes the effects of the slip parameter, magnetohydrodynamic (MHD) and other material parameters on the coating thickness (h1${{h}_1}$), blade load, velocity, temperature, concentration, and pressure profiles through graphs and tables. The velocity of molten polymer increases near the substrate while it decreases near the blade surface as the slip parameter increases. The temperature distribution increases as the Brinkman number rises, with the maximum temperature occurring in the nip region of the flow. The coating thickness and load‐carrying force for both plane and exponential coater increase with higher values of the magnetohydrodynamic (MHD) parameter. [ABSTRACT FROM AUTHOR]

This paper is a discussion note on Isaacs, Hájek and Hawthorne (2022) , which claims to offer a new motivation for imprecise probabilities, based on the mathematical phenomenon of non-measurability. In this note, I clarify some consequences of that proposal. In particular, I show that if the proposal is applied to a bounded 3 -dimensional space, then one has to reject at least one of the following: • If A is at most as probable as B and B is at most as probable as C ⁠ , then A is at  most as probable as C ⁠. • Let A ∩ C = B ∩ C = ∅ ⁠. A is at most as probable as B if and only if (A ∪ C) is at  most as probable as (B ∪ C) ⁠. But rejecting either statement seems unattractive. [ABSTRACT FROM AUTHOR]

In approximation theory, the "direct theorem" is a fundamental concept that relates to how well more straightforward functions or signals can approximate a function or signal from a chosen approximation space. The direct theorem typically provides bounds on the error or the quality of the approximation in terms of various parameters, such as the degree of approximation, the dimension of the approximation space, and the properties of the approximated functions. The specific form of the direct theorem can vary depending on the context and the type of approximation being considered (e.g., polynomial approximation, Fourier series approximation, spline approximation, etc.). The direct theorem aims to establish the mathematical framework for comprehending how well elements from a given space can approximate a function, which is crucial in various fields like numerical analysis, signal processing, and scientific computing. Finally, the direct theorem is a crucial result in approximation theory. It describes how elements from a given approximation space get closer and better at approximating a given function as the number of terms in the approximation sequence grows. It provides essential insights into the behavior of approximations and plays a central role in various mathematical and computational disciplines. In this article, we aim to prove the direct theorem by defining a new appropriate operator for functions Lp ([[0, 2π]d) that uses our new k-mixed modulus of smoothness to estimate the best approximation degree and the new k-mixed difference. Also, to prove the direct theorem, we introduce the angular approximation in Lp ([0, 2π]d to reach the most accurate estimate. [ABSTRACT FROM AUTHOR]

The paper is concerned with the mathematical theory and numerical approximation of systems of partial differential equations (pde) of hyperbolic, pseudo-parabolic type. Some mathematical properties of the initial-boundary-value problem (ibvp) with Dirichlet boundary conditions are first studied. They include the weak formulation, well-posedness and existence of traveling wave solutions connecting two states, when the equations are considered as a variant of a conservation law. Then, the numerical approximation consists of a spectral approximation in space based on Legendre polynomials along with a temporal discretization with strong stability preserving (SSP) property. The convergence of the semidiscrete approximation is proved under suitable regularity conditions on the data. The choice of the temporal discretization is justified in order to guarantee the stability of the full discretization when dealing with nonsmooth initial conditions. A computational study explores the performance of the fully discrete scheme with regular and nonregular data. [ABSTRACT FROM AUTHOR]

Based on recent advancements of reproducing kernels in several complex variables, the theory of rational approximation for weighted Bergman spaces on tube domains over cones is developed. By verifying the boundary vanishing property, the existence of optimal parameters and the corresponding orthogonal functions are obtained. [ABSTRACT FROM AUTHOR]

This paper discusses the large deviations for stochastic predator–prey model driven by multiplicative Lévy noise. Using Galerkin approximation, we initially prove the existence and uniqueness of solution. Due to the equivalence between Laplace principle and large deviation principle under a Polish space, the method of weak convergence has been followed in order to establish our results for this coupled system of equations. [ABSTRACT FROM AUTHOR]

The goal of this study was to develop a linear feedback control method to increase the energy produced for a parametrically excited energy-harvesting system. The chosen control design uses state feedback based on the Lyapunov–Floquet transformation to direct the system dynamics toward a previously chosen trajectory. The methodology of this work was based on the studies of Sinha and Butcher. They developed stability and control analysis techniques based on Floquet theory and the approximation of the state transition matrix of systems that have periodic coefficients in time. It was observed that the stability and instability conditions of the system were obtained from the choice of physical parameters related to the parametric excitation force. When the control technique was applied to the system, it was found that the suggested control effectively directed the system's trajectory in the direction of the predetermined trajectory. The application of control significantly increased the energy generation compared with the uncontrolled system, which was seen when comparing the energy generated by the uncontrolled system and the net energy generated by the controlled system. [ABSTRACT FROM AUTHOR]

In this paper, a special system of non-linear Abel integral equations (SNAIEs) is studied, which arises in astrophysics. Here, the well-known collocation method is extended to obtain an approximate solution of the SNAIEs. The existence and uniqueness conditions of the solution are investigated. Finally, some examples are solved to illustrate the accuracy and efficiency of the proposed method. [ABSTRACT FROM AUTHOR]

Owing to the capital-intensive nature of the power system components and safety of lives, fast response to intolerable conditions of power system networks becomes a growing concern for experts in power system monitoring and protection. To synthesize the noise nature of the signals, the multivariate principal component analysis (MPCA) wavelet method was used to extract and simplify the fault signals. An exploit of Daubechies wavelet (db3) was made and decomposed up to level 7. To have a crack at the composite noise nature, an attempt was made on leveldependent noise size estimation which was down-sampled by two at each succeeding level of 7. The results obtained from details, approximations, and simplified signals show that by far, multi-scale principal component analysis (MPCA) is better than multi-resolution signal analysis (MRSA) wavelet for signal detection and simplification. [ABSTRACT FROM AUTHOR]

This study aims to investigate a stochastic Volterra integral equation driven by fractional Brownian motion with Hurst parameter H ∈ (1/2, 1). We employ the Wong-Zakai approximation to simplify this intricate problem, transforming the stochastic integral equation into an ordinary integral equation. Moreover, we consider the convergence and the rate of convergence of the Wong-Zakai approximation for this kind of equation. [ABSTRACT FROM AUTHOR]

In this paper, Computing the eigenvalues of the Conformable Sturm-Liouville Problem (CSLP) of order 2α, 1/2 < α; ≤ 1, and dirichlet boundary conditions is considered. For this aim, CSLP is discretized to obtain a matrix eigenvalue problem (MEP) using finite element method with fractional shape functions. Then by a method based on the asymptotic form of the eigenvalues, we correct the eigenvalues of MEP to obtain efficient approximations for the eigenvalues of CSLP. Finally, some numerical examples to show the efficiency of the proposed method are given. Numerical results show that for the nth eigenvalue, the correction technique reduces the error order from O(n4h²) to O(n²h²). [ABSTRACT FROM AUTHOR]

The Chirp-Fourier transform is one of the most important tools of the modern signal processing. It has been widely used in the fields of ultrasound imaging, parameter estimation, and so on. The key to its application lies in the sampling and fast algorithms. In practical applications, nonuniform sampling can be caused by sampling equipment and other reasons. For the nonuniform sampling, we utilized function approximation and interpolation theory to construct different approximation forms of Chirp-Fourier transform kernel function, and proposed three fast nonuniform Chirp-Fourier transform algorithms. By analyzing the approximation error and the computational complexity of these algorithms, the effectiveness of the proposed algorithms was proved. [ABSTRACT FROM AUTHOR]

The class of convex sets that admit approximations as Minkowski sum of a compact convex set and a closed convex cone in the Hausdorff distance is introduced. These sets are called approximately Motzkin-decomposable and generalize the notion of Motzkin-decomposability, i.e., the representation of a set as the sum of a compact convex set and a closed convex cone. We characterize these sets in terms of their support functions and show that they coincide with hyperbolic sets, i.e., convex sets contained in the sum of their recession cone and a compact convex set if their recession cones are polyhedral but are more restrictive in general. In particular, we prove that a set is approximately Motzkin-decomposable if and only if its support function has a closed domain relative to which it is continuous. [ABSTRACT FROM AUTHOR]

The intersection of an affine subspace with the cone of positive semidefinite matrices is called a spectrahedron. An orthogonal projection thereof is called a spectrahedral shadow or projected spec-trahedron. Spectrahedra and their projections can be seen as a generalization of polyhedra. This article is concerned with the problem of approximating the recession cones of spectrahedra and spectrahedral shadows via polyhedral cones. We present two iterative algorithms to compute outer and inner approximations to within an arbitrary prescribed accuracy. The first algorithm is tailored to spectrahedra and is derived from polyhedral approximation algorithms for compact convex sets and relies on the fact, that an algebraic description of the recession cone is available. The second algorithm is designed for projected spectrahedra and does not require an algebraic description of the recession cone, which is in general more difficult to obtain. We prove correctness and finiteness of both algorithms and provide numerical examples. [ABSTRACT FROM AUTHOR]

The blade coating is an essential industrial technique that involves applying a protective liquid layer to a moving surface with a smoothing blade. In this article we demonstrated the non‐isothermal analysis of blade coating using viscoelastic fluid model numerically. The flow equations are made simplify using lubrication approximation theory (LAT). The resulting dimensionless flow and energy equations are simulated using a robust fourth‐order Runge–Kutta and Newton–Raphson methods to calculate the coating thickness (h1), stream function, velocity pressure, temperature profile, pressure gradient and blade load. The impact of the slip and involved parameters on these quantities are deliberated through various graphs and tables. The temperature distribution increases as the Brinkman number rises, with the maximum temperature occurring in the nip region of the flow. The mechanical quantities such as coating thickness increases while the blade load decreases with increasing the values of the slip parameter as compared with Newtonian model for both plane and exponential coater. Highlights: The temperature distribution increases as the Brinkman number increases.The coating thickness increases as the slip parameter value increases, while the blade load decreases.The pressure profile shows an increasing trend with increasing the values of the blade height ratio (K).The pressure profile increases with increasing the values of α1 while its shows decreasing trend with increases the value of the α2. [ABSTRACT FROM AUTHOR]

We consider a one-dimensional effective quantum electrodynamics (QED) model of the relativistic hydrogen-like atom using delta-potential interactions. We discuss the general exact theory and the Hartree–Fock approximation. The present one-dimensional effective QED model shares the essential physical feature of the three-dimensional theory: the nuclear charge polarizes the vacuum state (creation of electron–positron pairs), which results in a QED Lamb-type shift of the bound-state energy. Yet, this 1D effective QED model eliminates some of the most serious technical difficulties of the three-dimensional theory coming from renormalization. We show how to calculate the vacuum-polarization density at zeroth order in the two-particle interaction and the QED Lamb-type shift of the bound-state energy at first order in the two-particle interaction. The present work may be considered a step toward the development of a quantum-chemistry effective QED theory of atoms and molecules. [ABSTRACT FROM AUTHOR]

This document is an author index for Volume 22 (2024) of the journal "Analysis & Applications." It provides a list of authors and their corresponding articles published in the volume. The articles cover a wide range of topics in mathematics and applied mathematics, including equations, optimization, control, approximation, and more. The index is a valuable resource for library patrons conducting research in these areas. [Extracted from the article]

The theoretical prediction of the rates of nonradiative processes in molecules is fundamental in assessing their emissive properties. In this context, global harmonic models have been widely used to simulate vibronic spectra as well as internal conversion rates and to predict photoluminescence quantum yields. However, these simplified models suffer from the limitations that are inherent to the harmonic approximation and can have a severe effect on the calculated internal conversion rates. Therefore, the development of more accurate semiclassical methods is highly desirable. Here, we introduce a procedure for the calculation of nonradiative rates in the framework of the time-dependent semi-classical Extended Thawed Gaussian Approximation (ETGA). We systematically investigate the performance of the ETGA method by comparing it to the adiabatic and vertical harmonic methods, which belong to the class of widely used global harmonic models. Its performance is tested in potentials that cannot be treated adequately by global harmonic models, beginning with Morse potentials of varying anharmonicity followed by a double well potential. The calculated radiative and nonradiative internal conversion rates are compared to reference values based on exact quantum dynamics. We find that the ETGA has the capability to predict internal conversion rates in anharmonic systems with an appreciable energy gap, whereas the global harmonic models prove to be insufficient. [ABSTRACT FROM AUTHOR]

This paper presents a novel deep-learning network designed to detect intervals of jump discontinuities in single-variable piecewise smooth functions from their noisy samples. Enhancing the accuracy of jump discontinuity estimations can be used to find a more precise overall approximation of the function, as traditional approximation methods often produce significant errors near discontinuities. Detecting intervals of discontinuities is relatively straightforward when working with exact function data, as finite differences in the data can serve as indicators of smoothness. However, these smoothness indicators become unreliable when dealing with highly noisy data. In this paper, we propose a deep-learning network to pinpoint the location of a jump discontinuity even in the presence of substantial noise.

The time-delayed feedback term can improve the output of a system, while the two-dimensional stochastic resonance (SR) system has a stronger signal amplification capability. To improve the output signal-to-noise ratio (SNR) of the system, this paper proposes a two-dimensional time-delayed tri-stable stochastic resonance system (TDTDTSR) based on the advantages of the above two systems. First, the steady-state probability density function (SPD), the mean first-pass time (MFPT), and the output SNR are derived under adiabatic approximation theory, and the effects of different system parameters on them are investigated. Next, TDTDTSR and the classical two-dimensional tri-stable stochastic resonance system (CTDTSR) system are simulated numerically. The results show that the mean signal-to-noise gain (MSNRG) of TDTDTSR system is higher than that of the CTDTSR system. Finally, the system parameters are optimized using a genetic algorithm, and the application of TDTDTSR to bearing fault detection is compared with CTDTSR and the novel piecewise symmetric two-dimensional tri-stable stochastic resonance (NPSTDTSR) systems. The experimental results demonstrate that TDTDTSR system has better performance, providing valuable theoretical support and practical engineering applications for the system in subsequent analyses. [ABSTRACT FROM AUTHOR]

The roll coating method is of considerable significance in several industries, as it is applied practically in the production of paint, the manufacturing of PVC-coated cloth, and the plastic industry. The current study theoretically and computationally analyses the Powell–Eyring fluids with variable viscosity during the non-isothermal roll-over web phenomenon. Based on the lubrication approximation theory (LAT), the problem was formulated. The system of partial differential equations (PDEs) obtained from the mathematical modeling was further simplified to a set of ordinary differential equations (ODEs) using suitable transformations. A regular perturbation method was implemented to obtain the solution in terms of velocity, pressure gradient, pressure, and flow rate per unit width. This study also captures important engineering characteristics such as coating thickness, Nusselt number, shear stress, roll/sheet separating force, and roll-transmitted power to the fluid. Along with a comparison between the present work and published work, both graphical and tabular representations wer made to study the effects of various factors. It was observed that the velocity profile is the decreasing function of non-Newtonian and Reynold viscosity parameters. In addition, the response surface methodology (RSM) was employed to investigate the sensitivity of the shear stress and the Nusselt number. [ABSTRACT FROM AUTHOR]

Due to the direct contact between the probe and sample, the contact of the four-probe method is important for the structural integrity of the sample and the accuracy of electrical resistivity measurements, especially for surface-coated metal foils with multilayered structures. Here, we analyzed the accuracy and stability of four-probe method probing on different sides of copper (Cu) foils covered with graphene (Gr). Theoretical simulations showed similar potential distributions on the probe tip when probing on the Cu and Gr sides. The resistivity of the Gr/Cu foil was 2.31 ± 0.02 μΩ·cm when measured by probing on the Cu side, and 2.30 ± 0.10 μΩ·cm when measured by probing on the Gr side. The major difference in the mean deviation is attributed to surface damage. In addition, the method of probing on the Cu side was sensitive to the resistivity changes of Gr induced by polymers with a dielectric constant range of 2~12, which is consistent with the calculations based on the random phase approximation theory. Our results demonstrated that the probing position on the metal side in the four-probe method can effectively protect the structural integrity of the functional surface-coated layer and maintain the high sensitivity of the measurement, providing guidance for the resistivity measurements of other similarly heterogeneous materials. [ABSTRACT FROM AUTHOR]

Cilia flow plays a crucial role in biological systems such as the movement of mucus in the respiratory tract, circulation of cerebrospinal fluid in the brain, and propulsion of sperm cells. Understanding the cilia flow of viscous fluids is essential for elucidating the biomechanics of these processes and their implications for health and disease. Motivated by such numerous biomedical applications, this article aims to exhibit the impact of variable thermal conductivity on the mixed convective cilia beating transport of viscous fluid in a curved channel in the presence of radial magnetic field. The energy equation is also modulated with heat source/sink and viscous dissipation impacts. The constitutive equations are simplified by the hypothesis of lubrication approximation theory and then solved numerically using the implicit finite difference method (FDM). The numerical results concerning the impacts of various physical parameters on the velocity, temperature, pumping phenomena, and streamlines are graphed and explained. The obtained results indicate that as the Hartman number upsurges, fluid velocity reduces, and the Brickman number shows stronger viscous dissipation effects, leading to an increase in the fluid temperature. [ABSTRACT FROM AUTHOR]

This paper proposes a dead-reckoning (DR) method for vehicles using Lie theory. This approach treats the pose (position and attitude) and velocity of the vehicle as elements of the Lie group SE 2 (3) and follows the computations based on Lie theory. Previously employed DR methods, which have been widely used, suffer from cumulative errors over time due to inaccuracies in the calculated changes from velocity during the motion of the vehicle or small errors in modeling assumptions. Consequently, this results in significant discrepancies between the estimated and actual positions over time. However, by treating the pose and velocity of the vehicle as elements of the Lie group, the proposed method allows for accurate solutions without the errors introduced by linearization. The incremental updates for pose and velocity in the DR computation are represented in the Lie algebra. Experimental results confirm that the proposed method improves the accuracy of DR. In particular, as the motion prediction time interval of the vehicle increases, the proposed method demonstrates a more pronounced improvement in positional accuracy. [ABSTRACT FROM AUTHOR]

This article is considering the stability property of the solution with inner layer for singularly perturbed stationary equation with Neumann boundary conditions. The right-hand side is assumed to have discontinuity on some arbitrary curve . Stability analysis is performed by obtaining the first non-zero coefficient of the series for eigenvalue and eigenfunction from the Sturm–Liouville problem. Theory of the asymptotic approximations is used in order to construct them. [ABSTRACT FROM AUTHOR]

We consider nonharmonic Fourier series defined in terms of arbitrarily close exponentials. Our aim is to use the positivity of quadratic polynomials in order to get new Ingham-type weighted inequalities. The proof relies on an Ingham proof technique inspired by Jaffard et al. (J Fourier Anal Appl 3:577–582, 1997). As applications, we consider families of frequencies with relevance in control approximation theory, for which we can prove the uniform (with respect to the mesh-size) controllability property of the semi-discrete model, when the spurious frequencies (the gap between them tends to zero when the mesh size goes to zero) are eliminated. [ABSTRACT FROM AUTHOR]

In this paper, the propagation of pulse wave in a deformable elastic vessel filled with inviscid blood is studied. Starting from the stress–strain relationship of blood vessel wall, momentum conservation equation and the Naiver–Stokes equation, the basic equations describing the wall motion and blood flow are established. By utilizing reductive perturbation technique and long wave approximation theory, the basic equations are simplified into a classical third-order mKdV equation with variable coefficients. In order to describe the propagation characteristics of pulse wave more accurately, a fifth-order variable-coefficient mKdV equation is derived. Then, the tanh-function method is applied to find the localized traveling wave solutions of these equations. Based on these localized traveling wave solutions, we further investigate the effects of higher order terms and initial vessel deformation on the characteristics of pulse wave propagation, blood flow velocity and the volume of blood flow. The results show that the higher-order nonlinear and dispersion terms lead to the distortion of the wave, while the initial deformation of the tube wall will influence the wave amplitude and wave width. [ABSTRACT FROM AUTHOR]