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At least 1,351 records · Page 75

Minimax Program Terminal Control in Two-Level Hierarchic Nonlinear Discrete Dynamical System

We consider a discrete dynamical system consisting of a number of controllable objects whose dynamics is governed by vector nonlinear discrete recurrent relations with control parameters and perturbations (noises). In such system, two levels of making management decisions are distinguished: the dominating (first) level and the subordinate (second) level, which have different criteria of functioning. These levels are integrated by certain information and control relations. We consider the problem of two-level minimax program terminal control in a discrete dynamical system and propose its mathematical statement and a general scheme of its solution.

97 MATHEMATICS AND COMPUTING↗

A Problem of Axisymmetric Torsion of a Multilayer Plate with Elastic Links between the Layers

By using the method of compliance functions and the Hankel transformation of the first order, we propose a procedure for the solution of the problem of torsion of a multilayer plate with elastic links between the layers. Two auxiliary functions connected with the transforms of stresses and displacements at the points of the top boundary of the layer are introduced for each layer. The recurrence relations for the auxiliary functions and the compliance functions of neighboring layers of the plate are constructed. For a two-layer plate, we analyze the influence of the coefficients of elastic links and the geometric and mechanical parameters of layers on the distribution of stresses at points of the common boundary of the layers.

97 MATHEMATICS AND COMPUTING↗

An Inverse Factorial Series for a General Gamma Ratio and Related Properties of the Nørlund–Bernoulli Polynomials

The inverse factorial series expansion for the ratio of products of gamma functions whose arguments are linear functions of the variable is found. A recurrence relation for the coefficients in terms of the Nørlund–Bernoulli polynomials is provided, and the half-plane of convergence is determined. The results obtained naturally supplement a number of previous investigations of the gamma ratios, which began in the 1930-ies. The expansion obtained in this paper plays a crucial role in the study of the behavior of the delta-neutral Fox’s H-function in the neighborhood of its finite singular point. A particular case of the inverse factorial series expansion is used in deriving a possibly new identity for the Nørlund–Bernoulli polynomials.

97 MATHEMATICS AND COMPUTING↗

Coherent orthogonal polynomials

We discuss a fundamental characteristic of orthogonal polynomials, like the existence of a Lie algebra behind them, which can be added to their other relevant aspects. At the basis of the complete framework for orthogonal polynomials we include thus–in addition to differential equations, recurrence relations, Hilbert spaces and square integrable functions–Lie algebra theory. We start here from the square integrable functions on the open connected subset of the real line whose bases are related to orthogonal polynomials. All these one-dimensional continuous spaces allow, besides the standard uncountable basis (|x〉), for an alternative countable basis (|n〉). The matrix elements that relate these two bases are essentially the orthogonal polynomials: Hermite polynomials for the line and Laguerre and Legendre polynomials for the half-line and the line interval, respectively. Differential recurrence relations of orthogonal polynomials allow us to realize that they determine an infinite-dimensional irreducible representation of a non-compact Lie algebra, whose second order Casimir C gives rise to the second order differential equation that defines the corresponding family of orthogonal polynomials. Thus, the Weyl–Heisenberg algebra h(1) with C=0 for Hermite polynomials and su(1,1) with C=−1/4 for Laguerre and Legendre polynomials are obtained. Starting from the orthogonal polynomials the Lie algebra is extended both to the whole space of the L{sup 2} functions and to the corresponding Universal Enveloping Algebra and transformation group. Generalized coherent states from each vector in the space L{sup 2} and, in particular, generalized coherent polynomials are thus obtained. -- Highlights: •Fundamental characteristic of orthogonal polynomials (OP): existence of a Lie algebra. •Differential recurrence relations of OP determine a unitary representation of a non-compact Lie group. •2nd order Casimir originates a 2nd order differential equation that defines the corresponding OP family. •Generalized coherent polynomials are obtained from OP.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Solutions of the bi-confluent Heun equation in terms of the Hermite functions

We construct an expansion of the solutions of the bi-confluent Heun equation in terms of the Hermite functions. The series is governed by a three-term recurrence relation between successive coefficients of the expansion. We examine the restrictions that are imposed on the involved parameters in order that the series terminates thus resulting in closed-form finite-sum solutions of the bi-confluent Heun equation. A physical application of the closed-form solutions is discussed. We present the five six-parametric potentials for which the general solution of the one-dimensional Schrödinger equation is written in terms of the bi-confluent Heun functions and further identify a particular conditionally integrable potential for which the involved bi-confluent Heun function admits a four-term finite-sum expansion in terms of the Hermite functions. This is an infinite well defined on a half-axis. We present the explicit solution of the one-dimensional Schrödinger equation for this potential and discuss the bound states supported by the potential. We derive the exact equation for the energy spectrum and construct an accurate approximation for the bound-state energy levels. - Highlights: • The bi-confluent Heun functions are expanded in terms of the Hermite functions. • The restrictions leading to closed-form finite-sum solutions are identified. • The five bi-confluent Heun potentials for the Schrödinger equation are presented. • A new conditionally integrable Schrödinger potential is derived. • An accurate approximation for the bound-state energy levels is constructed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Algebraic calculations for spectrum of superintegrable system from exceptional orthogonal polynomials

We introduce an extended Kepler–Coulomb quantum model in spherical coordinates. The Schrödinger equation of this Hamiltonian is solved in these coordinates and it is shown that the wave functions of the system can be expressed in terms of Laguerre, Legendre and exceptional Jacobi polynomials (of hypergeometric type). We construct ladder and shift operators based on the corresponding wave functions and obtain their recurrence formulas. These recurrence relations are used to construct higher-order, algebraically independent integrals of motion to prove superintegrability of the Hamiltonian. The integrals form a higher rank polynomial algebra. By constructing the structure functions of the associated deformed oscillator algebras we derive the degeneracy of energy spectrum of the superintegrable system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Analysis of N-dimensional Klein–Gordon equation for hydrogen molecule in the non-central potential field

We investigate a complete normalized relativistic solutions for N-dimensional Hartmann potential and relativistic effects of non-central potential field for hydrogen molecule within the framework of asymptotic iteration approach. We also discuss in detail the influence of dimensions on the angular probability distribution of hydrogen molecule. N-dimensional bound state wavefunction solutions including angular and radial solutions are expressed in terms of the Jacobi and Laguerre polynomials, respectively. N-dimensional angular wavefunctions of hydrogen molecule were visualized with Matlab software. In hyperspherical coordinates, the recurrence relations between diagonal matrix elements have been derived for N-dimensional Hartmann potential in relativistic theory. We also obtain analytical expressions of diagonal matrix elements and the recurrence formula between off-diagonal matrix elements in N-dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Alpha ketoacid decarboxylases: Diversity, structures, reaction mechanisms, and applications for biomanufacturing of platform chemicals and fuels

In living cells, alpha-ketoacid decarboxylases (KDCs, EC 4.1.1.-) are a class of enzymes that convert alpha-ketoacids into aldehydes through decarboxylation. These aldehydes serve as either drop-in chemicals or precursors for the biosynthesis of alcohols, carboxylic acids, esters, and alkanes. These compounds play crucial roles in cellular metabolism and fitness and the bioeconomy, facilitating the sustainable and renewable biomanufacturing of platform chemicals and fuels. This review explores the diversity and classification of KDCs, detailing their structures, mechanisms, and functions. We highlight recent advancements in repurposing KDCs to enhance their efficiency and robustness for biomanufacturing. Additionally, we present modular KDC-dependent metabolic pathways for the microbial biosynthesis of aldehydes, alcohols, carboxylic acids, esters, and alkanes. Lastly, we discuss recent developments in the modular cell engineering technology that can potentially be applied to harness the diversity of KDC-dependent pathways for biomanufacturing platform chemicals and fuels.

09 BIOMASS FUELS↗

Estimating and Forecasting Time-Varying Groundwater Recharge in Fractured Rock: A State-Space Formulation with Preferential and Diffuse Flow to the Water Table

Rapid infiltration following precipitation may result in groundwater contamination from surface contaminants or pathogens. In fractured rock, contaminants can migrate rapidly to points of groundwater withdrawals. In contrast to the temporal availability of groundwater quality chemical indicators, meteorological and groundwater level observations are available in real-time to estimate time-varying recharge, which can act as a surrogate to identify periods of rapid infiltration that may indicate contamination susceptibility. Estimating recharge using methods, such as base-flow recession, unsaturated infiltration models, or Water-Table Fluctuations (WTF), cannot capitalize on currently available technologies and telecommunication infrastructure to conduct real-time recharge estimation at scales relevant to characterizing rapid infiltration. We present a linear, physics-based State-Space (SS) model of one-dimensional infiltration to estimate recharge, which includes preferential and diffuse-flow to the water table. The model can take advantage of real-time data for water-table altitude, precipitation, and evapotranspiration. Model parameters are calibrated over an observation period, and the Kalman Filter (KF) is subsequently applied to continuously update the observed (water-table altitude) and unobserved (groundwater recharge) system states and predict future states as new data become available. The SS/KF algorithm is demonstrated at the Masser Groundwater Recharge Site in Pennsylvania, USA and comparisons are made with recharge estimates from WTF methods. Model results indicate that the frequency of observations (daily versus sub-daily) dictates the allocation between preferential and diffuse flow. Additionally, because infiltration processes encompass many nonlinearities, model parameters estimated from observation periods need to be updated at least seasonally to account for changing recharge conditions.

groundwater, Recharge, infiltration, recursive est↗

Nonadiabatic anharmonic electron transfer

The effect of an inner sphere, local mode vibration on an electron transfer is modeled using the nonadiabatic transition probability (rate) expression together with both the anharmonic Morse and the harmonic oscillator potential. For an anharmonic inner sphere mode, a variational analysis uses harmonic oscillator basis functions to overcome the difficulties evaluating Morse-model Franck-Condon overlap factors. Individual matrix elements are computed with the use of new, fast, robust, and flexible recurrence relations. The analysis therefore readily addresses changes in frequency and/or displacement of oscillator minimums in the different electron transfer states. Direct summation of the individual Boltzmann weighted Franck-Condon contributions avoids the limitations inherent in the use of the familiar high-temperature, Gaussian form of the rate constant. The effect of harmonic versus anharmonic inner sphere modes on the electron transfer is readily seen, especially in the exoergic, inverted region. The behavior of the transition probability can also be displayed as a surface for all temperatures and values of the driving force/exoergicity {Delta}=-{Delta}G. The temperature insensitivity of the transfer rate is clearly seen when the exoergicity equals the collective reorganization energy ({Delta}={Lambda}{sub s}) along a maximum ln (w) vs. {Delta} ridge of the surface. The surface also reveals additional regions for {Delta} where ln (w) appears to be insensitive to temperature, or effectively activationless, for some kinds of inner sphere contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Purely non-local Hamiltonian formalism, Kohno connections and ∨-systems

In this paper, we extend purely non-local Hamiltonian formalism to a class of Riemannian F-manifolds, without assumptions on the semisimplicity of the product ○ or on the flatness of the connection ∇. In the flat case, we show that the recurrence relations for the principal hierarchy can be re-interpreted using a local and purely non-local Hamiltonian operators and in this case they split into two Lenard-Magri chains, one involving the even terms, the other involving the odd terms. Furthermore, we give an elementary proof that the Kohno property and the ∨-system condition are equivalent under suitable assumptions and we show how to associate a purely non-local Hamiltonian structure to any ∨-system, including degenerate ones.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Some new surprises in chaos

A brief review is presented of some recent findings in the theory of chaotic dynamics. We also prove a statement that could be naturally considered as a dual one to the Poincaré theorem on recurrences. Numerical results demonstrate that some parts of the phase space of chaotic systems are more likely to be visited earlier than other parts. A new class of chaotic focusing billiards is discussed that clearly violates the main condition considered to be necessary for chaos in focusing billiards.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accompanying coordinate expansion and recurrence relation method using a transfer relation scheme for electron repulsion integrals with high angular momenta and long contractions

An efficient algorithm for the rapid evaluation of electron repulsion integrals is proposed. The present method, denoted by accompanying coordinate expansion and transferred recurrence relation (ACE-TRR), is constructed using a transfer relation scheme based on the accompanying coordinate expansion and recurrence relation method. Furthermore, the ACE-TRR algorithm is extended for the general-contraction basis sets. Numerical assessments clarify the efficiency of the ACE-TRR method for the systems including heavy elements, whose orbitals have long contractions and high angular momenta, such as f- and g-orbitals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Algebraic solutions of shape-invariant position-dependent effective mass systems

Keeping in view the ordering ambiguity that arises due to the presence of position-dependent effective mass in the kinetic energy term of the Hamiltonian, a general scheme for obtaining algebraic solutions of quantum mechanical systems with position-dependent effective mass is discussed. We quantize the Hamiltonian of the pertaining system by using symmetric ordering of the operators concerning momentum and the spatially varying mass, initially proposed by von Roos and Lévy-Leblond. The algebraic method, used to obtain the solutions, is based on the concepts of supersymmetric quantum mechanics and shape invariance. In order to exemplify the general formalism a class of non-linear oscillators has been considered. This class includes the particular example of a one-dimensional oscillator with different position-dependent effective mass profiles. Explicit expressions for the eigenenergies and eigenfunctions in terms of generalized Hermite polynomials are presented. Moreover, properties of these modified Hermite polynomials, like existence of generating function and recurrence relations among the polynomials have also been studied. Furthermore, it has been shown that in the harmonic limit, all the results for the linear harmonic oscillator are recovered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The leading term of the Plancherel-Rotach asymptotic formula for solutions of recurrence relations

Recurrence relations generating Padé and Hermite-Padé polynomials are considered. Their coefficients increase with the index of the relation, but after dividing by an appropriate power of the scaling function they tend to a finite limit. As a result, after scaling the polynomials 'stabilize' for large indices; this type of asymptotic behaviour is called Plancherel-Rotach asymptotics. An explicit expression for the leading term of the asymptotic formula, which is valid outside sets containing the zeros of the polynomials, is obtained for wide classes of three- and four-term relations. For three-term recurrence relations this result generalizes a theorem Van Assche obtained for recurrence relations with 'regularly' growing coefficients. Bibliography: 19 titles.

97 MATHEMATICS AND COMPUTING↗

Geometric Mapping of Tasks to Processors on Parallel Computers with Mesh or Torus Networks

We present a new method for reducing parallel applications' communication time by mapping their MPI tasks to processors in a way that lowers the distance messages travel and the amount of congestion in the network. Assuming geometric proximity among the tasks is a good approximation of their communication interdependence, we use a geometric partitioning algorithm to order both the tasks and the processors, assigning task parts to the corresponding processor parts. In this way, interdependent tasks are assigned to “nearby” cores in the network. We also present a number of algorithmic optimizations that exploit specific features of the network or application to further improve the quality of the mapping. We specifically address the case of sparse node allocation, where the nodes assigned to a job are not necessarily located in a contiguous block nor within close proximity to each other in the network. Furthermore, our methods generalize to contiguous allocations as well, and results are shown for both contiguous and non-contiguous allocations. We show that, for the structured finite difference mini-application MiniGhost, our mapping methods reduced communication time up to 75% relative to MiniGhost's default mapping on 128K cores of a Cray XK7 with sparse allocation. For the atmospheric modeling code E3SM/HOMME, our methods reduced communication time up to 31% on 16K cores of an IBM BlueGene/Q with contiguous allocation.

97 MATHEMATICS AND COMPUTING↗

Raynal–Revai coefficients for a general kinematic rotation

In a three-body system, transitions between different sets of normalized Jacobi coordinates are described as general kinematic transformations that include an orthogonal or a pseudoorthogonal rotation. For such rotations, the Raynal–Revai coefficients execute a unitary transformation between three-body hyperspherical functions. Recurrence relations that make it possible to calculate the Raynal–Revai coefficients for arbitrary angular momenta are derived on the basis of linearized representations of products of hyperspherical functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A finite quantum oscillator model related to special sets of Racah polynomials

In [R. Oste and J. Van der Jeugt, arXiv: 1507.01821 [math-ph]] we classified all pairs of recurrence relations in which two (dual) Hahn polynomials with different parameters appear. Such pairs are referred to as (dual) Hahn doubles, and the same technique was then applied to obtain all Racah doubles. We now consider a special case concerning the doubles related to Racah polynomials. This gives rise to an interesting class of two-diagonal matrices with closed form expressions for the eigenvalues. Just as it was the case for (dual) Hahn doubles, the resulting two-diagonal matrix can be used to construct a finite oscillator model. We discuss some properties of this oscillator model, give its (discrete) position wavefunctions explicitly, and illustrate their behavior by means of some plots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗