Second-order Green's-function theory of the Heisenberg ferromagnet.
Coupled Green function equations for Heisenberg ferromagnet approximated via differential equations
CORRELATION FUNCTION↗
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Space transportation vehicle design evaluation using saturated designs
An important objective in the preliminary design and evaluation of space transportation vehicles is to find the best values of design variables that optimize the performance characteristic (e.g. dry weight). For a given configuration, the vehicle performance can be determined by the use of complex sizing and performance evaluation computer programs. These complex computer programs utilize iterative algorithms and they are generally too expensive and/or difficult to use directly in multidisciplinary design optimization. An alternative is to use response surface methodology (RSM) and obtain quadratic polynomial approximations to the functional relationships between performance characteristics and design variables. In RSM, these approximation models are then used to determine optimum design parameter values and for rapid sensitivity studies. Constructing a second-order model requires that 'n' design parameters be studied at least at 3 levels (values) so that the coefficients in the model can be estimated. There, 3(n) factorial experiments (point designs or observations) may be necessary. For small values of 'n' such as two or three, this design works well. However, when a large number of design parameters are under study, the number of design points required for a full-factorial design may become excessive. Fortunately, these quadratic polynomial approximations can be obtained by selecting an efficient design matrix using central composite designs (CCD) from design of experiments theory. Each unique point design from the CCD matrix is then conducted using computerized analysis tools (e.g. POST, CONSIZ, etc.). In the next step, least squares regression analysis is used to calculate the quadratic polynomial coefficients from the data. However, in some multidisciplinary applications involving a large number of design variables and several disciplines, the computerized performance synthesis programs may get too time consuming and expensive to run even with the use of efficient central composite designs. In such cases, it may be preferable to keep the number of design points to an absolute minimum and trade some model accuracy with cost. For this purpose, another class of experimental designs, called saturated D-optimal designs may be utilized for generating a matrix of vehicle designs. A design is called saturated when the number of design points is exactly equal to the number of terms in the model to be fitted. As a result, saturated designs require the absolute minimum number of design points ((n+1)(n+2)/s) to estimate the quadratic polynomial model coefficients. Saturated designs can be generated using the D-optimality criterion. A good saturated design should give rise to least squares estimates with minimum generalized variance.
Unal, Resit↗
Three-dimensional analysis of anisotropic spatially reinforced structures
The material-adaptive three-dimensional analysis of inhomogeneous structures based on the meso-volume concept and application of deficient spline functions for displacement approximations is proposed. The general methodology is demonstrated on the example of a brick-type mosaic parallelepiped arbitrarily composed of anisotropic meso-volumes. A partition of each meso-volume into sub-elements, application of deficient spline functions for a local approximation of displacements and, finally, the use of the variational principle allows one to obtain displacements, strains, and stresses at anypoint within the structural part. All of the necessary external and internal boundary conditions (including the conditions of continuity of transverse stresses at interfaces between adjacent meso-volumes) can be satisfied with requisite accuracy by increasing the density of the sub-element mesh. The application of the methodology to textile composite materials is described. Several numerical examples for woven and braided rectangular composite plates and stiffened panels under transverse bending are considered. Some typical effects of stress concentrations due to the material inhomogeneities are demonstrated.
Bogdanovich, Alexander E.↗
The Sobolev approximation for line formation with partial frequency redistribution
Attention is given to the formation of a spectral line in a uniformly expanding infinite medium in the Sobolev approximation, with emphasis on the various mechanisms for frequency redistribution. Numerical and analytic solutions of the transfer equation are presented of a number of redistribution functions and their approximations, including type I and type II partial redistribution, coherent scattering and complete redistribution, and the Fokker-Planck and uncorrelated approximation to the R sub II function. The solutions for the mean intensity are shown to depend very much on the type of redistribution mechanism, while for the frequency-weighted mean intensity, which enters the rate equations, this dependence is weak. It is inferred that use of Sobolev escape probabilities based on complete redistribution can be an adequate approximation for many calculations for which only the radiative excitation rates are needed.
Hummer, D. G.↗
Mappings and accuracy for Chebyshev pseudo-spectral approximations
The effect of mappings on the approximation, by Chebyshev collocation, of functions which exhibit localized regions of rapid variation is studied. A general strategy is introduced whereby mappings are adaptively constructed which map specified classes of rapidly varying functions into low order polynomials which can be accurately approximated by Chebyshev polynomial expansions. A particular family of mappings constructed in this way is tested on a variety of rapidly varying functions similar to those occurring in approximations. It is shown that the mapped function can be approximated much more accurately by Chebyshev polynomial approximations than in physical space or where mappings constructed from other strategies are employed.
Bayliss, Alvin↗
Mappings and accuracy for Chebyshev pseudo-spectral approximations
The effect of mappings on the approximation, by Chebyshev collocation, of functions which exhibit localized regions of rapid variation is studied. A general strategy is introduced whereby mappings are adaptively constructed which map specified classes of rapidly varying functions into low order polynomials which can be accurately approximated by Chebyshev polynomial expansions. A particular family of mappings constructed in this way is tested on a variety of rapidly varying functions similar to those occurring in approximations. It is shown that the mapped function can be approximated much more accurately by Chebyshev polynomial approximations than in physical space or where mappings constructed from other strategies are employed.
Bayliss, Alvin↗
Temperature characteristics of electron beams and ambient particles
The temperature characteristics of electron beams and trapped particles of large pitch angles during substorms have been studied by examining the plasma data of the University of California at San Diego experiment on board the geostationary ATS 6 satellite. Approximating the observed distribution functions by a single Maxwellian or a superposition of two Maxwellians, it has been deduced that the electron distribution function is characterized by two temperatures, approximately 1 and 3 keV. The 3-keV component is observed at all pitch angles from 10 to 90 deg. The 1-keV component initially appears only within the electron beams which are confined to small pitch angles (approximately 30 deg). With time, this low-temperature component appears at larger pitch angles (approximately 30 deg). This observation has been interpreted in terms of scattering of the electron beams to large pitch angles.
Lin, C. S.↗
Second-order wave excitation forces in WEC-Sim/MOST: Implementation, experimental validation, and code-to-code comparison
Accurate prediction of second-order hydrodynamic loads is essential for floating bodies, including floating offshore wind turbines, wave energy converters, and hybrid wind–wave platforms. These nonlinear effects, arising from both sum- and difference-frequency forcing, are critical for capturing key response characteristics but remain challenging to model efficiently. In this work, we extend the open-source Wave Energy Converter Simulator / MATLAB for Offshore Simulation Tool by implementing second-order wave excitation forces, supporting both the full Quadratic Transfer Function formulation and the Newman approximation. The full Quadratic Transfer Function method is used for all code-to-code comparisons and experimental validation, while the Newman approximation is provided as a computationally lighter alternative. To benchmark the new capability, we perform a code-to-code comparison with OpenFAST and OrcaFlex. We then validate the enhanced model using wave-tank measurements of a 1:96 scale DeepCwind semi-submersible, showing that second-order effects are required to reproduce platform motions. The implementation employs a computationally efficient pre-computation strategy for second-order wave excitation forces, reducing simulation cost while maintaining engineering accuracy. Overall, this work advances the tool as an open-source and versatile tool for modelling floating offshore renewable-energy systems requiring second-order hydrodynamic fidelity.
17 WIND ENERGY↗
Robust control design techniques for active flutter suppression
In this paper, an active flutter suppression problem is studied for a thin airfoil in unsteady aerodynamics. The mathematical model of this system is infinite dimensional because of Theodorsen's function which is irrational. Several second order approximations of Theodorsen's function are compared. A finite dimensional model is obtained from such an approximation. We use H infinity control techniques to find a robustly stabilizing controller for active flutter suppression.
Ozbay, Hitay↗
A Monte Carlo investigation of experimental data requirements for fitting polynomial functions
This report examines the extent to which sample size affects the accuracy of a low order polynomial approximation of an experimentally observed quantity and establishes a trend toward improvement in the accuracy of the approximation as a function of sample size. The task is made possible through a simulated analysis carried out by the Monte Carlo method, in which data are generated by using several transcendental or algebraic functions as models. Contaminated data of varying amounts are fitted to linear quadratic or cubic polynomials, and the behavior of the mean-squared error of the residual variance is determined as a function of sample size. Results indicate that the effect of the size of the sample is significant only for relatively small sample sizes and diminishes drastically for moderate and large amounts of experimental data.
Canavos, G. C.↗
Calculations of transmission functions in the infrared CO2 and O3 bands
An efficient method for computing the transmission function in the 15-micron CO2 and the 9.6-micron O3 bands is presented. An inhomogeneous atmospheric path is treated as homogeneous by applying simple pressure and temperature scaling approximations. The transmission functions are then derived from small precomputed tables. Because the atmospheric cooling rate is primarily contributed from adjacent layers, the simple scaling approximations can be used to accurately compute transmission functions in both the middle and lower atmosphere. Applying the parameterization to vastly different atmospheric conditions, the difference with line-by-line calculations is small. In the region between 0.01 mbar and the earth's surface, the cooling rate difference is less than 0.3 C/d in the 15-micron CO2 band and less than 0.1 C/d in the 9.6-micron O3 band.
Chou, Ming-Dah↗
On the synthesis of resonance lines in dynamical models of structured hot-star winds
We examine basic issues involved in synthesizing resonance-line profiles from 1-D, dynamical models of highly structured hot-star winds. Although these models exhibit extensive variations in density as well as velocity, the density scale length is still typically much greater than the Sobolev length. The line transfer is thus treated using a Sobolev approach, as generalized by Rybicki & Hummer (1978) to take proper account of the multiple Sobolev resonances arising from the nonmonotonic velocity field. The resulting reduced-lambda-matrix equation describing nonlocal coupling of the source function is solved by iteration, and line profiles are then derived from formal solution integration using this source function. Two more approximate methods that instead use either a stationary or a structured, local source function yield qualitatively similar line-profiles, but are found to violate photon conservation by 10% or more. The full results suggest that such models may indeed be able to reproduce naturally some of the qualitative properties long noted in observed UV line profiles, such as discrete absorption components in unsaturated lines, or the blue-edge variability in saturated lines. However, these particular models do not yet produce the black absorption troughs commonly observed in saturated lines, and it seems that this and other important discrepancies (e.g., in acceleration time scale of absorption components) may require development of more complete models that include rotation and other 2-D and/or 3-D effects.
Puls, J.↗
Embedded random phase approximation for magnetic systems: H 2 dissociative adsorption on Fe(110)
The random phase approximation (RPA), a method for treating electron correlation, has been shown to be superior to standard density functional theory (DFT) approximations in numerous cases. However, the RPA’s computational cost is substantially higher than that of DFT, particularly restricting its application to extended surfaces. The recently introduced embedded RPA (emb-RPA) approach [Wei et al., J. Chem. Phys. 159(19), 194108 (2023)] reduces this computational cost by approximately two orders of magnitude. While previous applications of emb-RPA focused on non-spin-polarized systems, here we extend the approach to ferromagnetic ones. Unlike other embedded correlated wavefunction methods, such as embedded complete active space self-consistent field theory, emb-RPA is advantageous for spin-polarized systems because the RPA is compatible with unrestricted DFT solutions, which are eigenfunctions of the spin angular momentum operator S z but not the total spin-squared operator S 2 . By applying emb-RPA with specific magnetization constraints, we achieved a speedup of two to three orders of magnitude (one order when accounting for the one-time embedding potential optimization cost) with only small errors (∼50 meV) compared to full periodic RPA. Moreover, emb-RPA significantly reduces the over-binding errors of DFT approximations. In conclusion, we anticipate that the acceleration enabled by the spin-polarized emb-RPA approach will broaden the applicability of RPA to magnetic materials.
Density functional theory↗
Neural Scaling Laws of Deep ReLU and Deep Operator Network: A Theoretical Study
Neural scaling laws play a pivotal role in the performance of deep neural networks and have been observed in a wide range of tasks. However, a complete theoretical framework for understanding these scaling laws remains underdeveloped. In this paper, we explore the neural scaling laws for deep operator networks, which involve learning mappings between function spaces, with a focus on the Chen and Chen style architecture. These approaches, which include the popular Deep Operator Network (DeepONet), approximate the output functions using a linear combination of learnable basis functions and coefficients that depend on the input functions. We establish a theoretical framework to quantify the neural scaling laws by analyzing its approximation and generalization errors. We articulate the relationship between the approximation and generalization errors of deep operator networks and key factors such as network model size and training data size. Moreover, we address cases where input functions exhibit low-dimensional structures, allowing us to derive tighter error bounds. These results also hold for deep ReLU networks and other similar structures. Our results offer a partial explanation of the neural scaling laws in operator learning and provide a theoretical foundation for their applications.
97 MATHEMATICS AND COMPUTING↗
Effect of design selection on response surface performance
The mathematical formulation of the engineering optimization problem is given. Evaluation of the objective function and constraint equations can be very expensive in a computational sense. Thus, it is desirable to use as few evaluations as possible in obtaining its solution. In solving the equation, one approach is to develop approximations to the objective function and/or restraint equations and then to solve the equation using the approximations in place of the original functions. These approximations are referred to as response surfaces. The desirability of using response surfaces depends upon the number of functional evaluations required to build the response surfaces compared to the number required in the direct solution of the equation without approximations. The present study is concerned with evaluating the performance of response surfaces so that a decision can be made as to their effectiveness in optimization applications. In particular, this study focuses on how the quality of approximations is effected by design selection. Polynomial approximations and neural net approximations are considered.
Carpenter, William C.↗
Unsteady aerodynamics in time and frequency domains for finite time arbitrary motion of rotary wings in hover and forward flight
Several incompressible finite-time arbitrary-motion airfoil theories suitable for coupled flap-lag-torsional aeroelastic analysis of helicopter rotors in hover and forward flight are derived. These theories include generalized Greenberg's theory, generalized Loewy's theory, and a staggered cascade theory. The generalized Greenberg's and staggered cascade theories were derived directly in Laplace domain considering the finite length of the wake and using operational methods. The load expressions are presented in Laplace, frequency, and time domains. Approximate time domain loads for the various generalized theories, discussed in the paper, are obtained by developing finite state models using the Pade approximant of the appropriate lift deficiency functions. Three different methods for constructing Pade approximants of the lift deficiency functions were considered and the more flexible one was used. Pade approximants of Loewy's lift deficiency function, for various wake spacing and radial location parameters of a helicopter typical rotor blade section, are presented.
Dinyavari, M. A. H.↗
Photoionization cross-sections for atoms and ions of aluminum, silicon, and argon.
Photoionization cross sections for all levels belonging to the configurations of atoms and ions of aluminum, silicon, and argon have been calculated using Hartree-Fock bound-electron wave functions and close-coupling approximation free-electron wave functions. The results are presented in the form of a computationally convenient interpolation formula and should find wide astrophysical application.
Chapman, R. D.↗
A parallel trajectory optimization tool for aerospace plane guidance
A parallel trajectory optimization algorithm is being developed. One possible mission is to provide real-time, on-line guidance for the National Aerospace Plane. The algorithm solves a discrete-time problem via the augmented Lagrangian nonlinear programming algorithm. The algorithm exploits the dynamic programming structure of the problem to achieve parallelism in calculating cost functions, gradients, constraints, Jacobians, Hessian approximations, search directions, and merit functions. Special additions to the augmented Lagrangian algorithm achieve robust convergence, achieve (almost) superlinear local convergence, and deal with constraint curvature efficiency. The algorithm can handle control and state inequality constraints such as angle-of-attack and dynamic pressure constraints. Portions of the algorithm have been tested. The nonlinear programming core algorithm performs well on a variety of static test problems and on an orbit transfer problem. The parallel search direction algorithm can reduce wall clock time by a factor of 10 for this part of the computation task.
Psiaki, Mark L.↗