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At least 433 records · Page 24

Surrogate Model Guided Optimization of Expensive Black-Box Multi-Objective Problems: A Posteriori Methods

Many engineering applications require the simultaneous optimization of multiple conflicting objective functions. Often, these objective functions are evaluated using highly accurate computer simulations that are computationally too expensive to be evaluated hundreds or thousands of times during optimization. Thus, the goal is to find good approximations of the Pareto front using as few of these expensive simulations as possible. Here, we describe an optimization approach based on surrogate models and diverse sampling strategies to accelerate the search for the Pareto solutions. We use a separate surrogate model for approximating each objective function and then we use the surrogate models to inform where additional expensive simulations should be run. The surrogate models are updated in an active learning framework whenever new information from the expensive simulations becomes available. The sampling strategies aim at balancing local improvements of the approximate Pareto front and global exploration to identify the extrema and fill in large gaps of the approximate Pareto front. We demonstrate on a large set of benchmark problems the effectiveness of the method for finding good approximations of the Pareto front.

MATHEMATICS AND COMPUTING↗

A three-dimensional viscoelastic model of a strike slip fault

An analytic approximation to the Green's function for the displacements due to a strike slip point source in an elastic layer over a viscoelastic half-space is developed. This approximate Green's function is useful because it can be analytically integrated over the fault surface. Comparison with a numerical integration of the exact solution integral indicates that the approximation is quite good. The approximate Green's function is integrated analytically to obtain the displacements due to a finite rectangular strike slip fault in an elastic layer over a viscoelastic half-space. Ground displacements and angle changes from a model survey net are computed to illustrate the viscoelastic relaxation which follows a fracture in the elastic region.

Rundle, J. B.↗

Development of MLPG and LBIE Methods for Nonlinear Problems of Fracture

The truly meshless local Petrov-Galerkin (MLPG) method holds a great promise in solving boundary value problems, using a local symmetric weak form as a natural approach. In the present paper, in the context of MLPG and the meshless interpolation of a moving least squares (MLS) type, a method which uses primary and secondary nodes in the domain and on the global boundary is introduced, in order to improve the accuracy of solution. The secondary nodes can be placed at any location where one needs to obtain a better resolution. The sub-domains for the shape functions in the MLS approximation are defined only from the primary nodes, and the secondary nodes use the same sub-domains. The shape functions based on the MLS approximation, in an integration domain, have a single type of a rational function, which reduces the difficulty of numerical integration to evaluate the weak form. The present method is very useful in an adaptive calculation, because the secondary nodes can be easily added and/or moved without an additional mesh. The essential boundary conditions can be imposed exactly, and non-convex boundaries can be treated without special techniques. Several numerical examples are presented to illustrate the performance of the present method.

Atluri, Satya N.↗

Statistical properties of filtered pseudo-random digital sequences

A tutorial presentation of pseudo-random digital sequences, their generation and properties is given. The results of a study of filtered pseudo-random sequences, and their statistical properties are reported. The generator, to be used in a telemetry communications system test unit, must generate its pseudo-random signals by filtering a long digital sequence. Desired signal properties include: (1) approximately Gaussian amplitude probability density function; and (2) signal spectral envelope approximately that of the filter being used in the generator. Filtered maximum-length sequences have been used for this, and similar applications in the past. The results were good for low-pass filtered sequences when the ratio of digital clock frequency to filter cutoff frequency was between fifteen and twenty. However, for higher values of this ratio, a definite skewing of the amplitude density function was observed.

Weathers, G. D.↗

Aeroservoelastic modeling and applications using minimum-state approximations of the unsteady aerodynamics

Various control analysis, design, and simulation techniques for aeroelastic applications require the equations of motion to be cast in a linear time-invariant state-space form. Unsteady aerodynamics forces have to be approximated as rational functions of the Laplace variable in order to put them in this framework. For the minimum-state method, the number of denominator roots in the rational approximation. Results are shown of applying various approximation enhancements (including optimization, frequency dependent weighting of the tabular data, and constraint selection) with the minimum-state formulation to the active flexible wing wind-tunnel model. The results demonstrate that good models can be developed which have an order of magnitude fewer augmenting aerodynamic equations more than traditional approaches. This reduction facilitates the design of lower order control systems, analysis of control system performance, and near real-time simulation of aeroservoelastic phenomena.

Tiffany, Sherwood H.↗

Electron density power spectrum in the local interstellar medium

Interstellar scintillation (ISS), fluctuations in the amplitude and phase of radio waves caused by scattering in the interstellar medium, is important as a diagnostic of interstellar plasma turbulence. ISS is also of interest because it is noise for other radio astronomical observations. The unifying concern is the power spectrum of the interstellar electron density. Here we use ISS observations through the nearby (less than or approximately =1 kpc) (ISM) to estimate the spectrum. From measurements of angular broadening of pulsars and extragalactic sources, decorrelation bandwidth of pulsars, refractive steering of features in pulsar dynamic spectra, dispersion measured fluctuations of pulsars, and refractive scintillation index measurements, we construct a composite structure function that is approximately power law over 2 x 10(exp 6) m less than scale less than 10(exp 13) m. The data are consistent with the structure function having a logarithmic slope versus baseline less than 2; thus there is a meaningful connection between scales in the radiowave fluctuation field and the scales in the electron density field causing the scattering. The data give an upper limit to the inner scale, l(sub o) less than or approximately 10(exp 8) m and are consistent with much smaller values. We construct a composite electron density spectrum that is approximately power law over at least the approximately = 5 decade wavenumber range 10(exp -13)/m less than wavenumber less than 10(exp -8)/m and that may extend to higher wavenumbers. The average spectral index of electron density over this wavenumber range is approximately = 3.7, very close to the value expected for a Kolmogorov process. The outer scale size, L(sub o), must be greater than or approximately = 10(exp 13) m (determined from dispersion measure fluctuations). When the ISS data are combined with measurements of differential Faraday rotation angle, and gradients in the average electron density, constraints can be put on the spectrum at much smaller wave numbers. The composite spectrum is consistent with a Kolmogorov-like power law over a huge range (10 or more decades) of spatial wavenumber with an infrared outer scale L(sub o) greater than or approximately 10(exp 18)m. This power-law subrange-expressed as ratio of outer to inner scales-is comparable to or larger than that of other naturally occurring turbulent fluids, such as the oceans or the solar wind. We outline some of the theories for generating and maintaining such a spectrum over this huge wavenumber range.

Armstrong, J. W.↗

Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency

The complex nature of the f-orbital electronic structures and their interaction with the chemical environment pose significant computational challenges. Advanced computational techniques that variationally include scalar relativities and spin–orbit coupling directly at the molecular orbital level have been developed to address this complexity. Among these, variational relativistic multiconfigurational multireference methods stand out for their high accuracy and systematic improvement in studies of f-block complexes. Additionally, these advanced methods offer the potential for calibrating low-scaling electronic structure methods such as density functional theory. However, studies on the Cl K-edge X-ray absorption spectra of the [Ce(III)Cl 6 ] 3– and [Ce(IV)Cl 6 ] 2– complexes show that time-dependent density functional theory with approximate exchange–correlation kernels can lead to inaccuracies, resulting in an overstabilization of 4f orbitals and incorrect assessments of covalency. In contrast, approaches utilizing small active space wave function methods may understate the stability of these orbitals. The results herein demonstrate the need for large active space, multireference, and variational relativistic methods in studying f-block complexes.

chemical calculations↗

Toward first principles-based simulations of dense hydrogen

Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g., planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion. There exists experimental data for the equation of state, conductivity, and Thomson scattering spectra. However, the analysis of the measurements at extreme pressures and temperatures typically involves additional model assumptions, which makes it difficult to assess the accuracy of the experimental data rigorously. On the other hand, theory and modeling have produced extensive collections of data. They originate from a very large variety of models and simulations including path integral Monte Carlo (PIMC) simulations, density functional theory (DFT), chemical models, machine-learned models, and combinations thereof. At the same time, each of these methods has fundamental limitations (fermion sign problem in PIMC, approximate exchange–correlation functionals of DFT, inconsistent interaction energy contributions in chemical models, etc.), so for some parameter ranges accurate predictions are difficult. Recently, a number of breakthroughs in first principles PIMC as well as in DFT simulations were achieved which are discussed in this review. Here we use these results to benchmark different simulation methods. We present an update of the hydrogen phase diagram at high pressures, the expected phase transitions, and thermodynamic properties including the equation of state and momentum distribution. Furthermore, we discuss available dynamic results for warm dense hydrogen, including the conductivity, dynamic structure factor, plasmon dispersion, imaginary-time structure, and density response functions. We conclude by outlining strategies to combine different simulations to achieve accurate theoretical predictions that are based on first principles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analysis of an electrohydraulic aircraft control surface servo and comparison with test results

An analysis of an electrohydraulic aircraft control-surface system is made in which the system is modeled as a lumped, two-mass, spring-coupled system controlled by a servo valve. Both linear and nonlinear models are developed, and the effects of hinge-moment loading are included. Transfer functions of the system and approximate literal factors of the transfer functions for several cases are presented. The damping action of dynamic pressure feedback is analyzed. Comparisons of the model responses with results from tests made on a highly resonant rudder control-surface servo indicate the adequacy of the model. The effects of variations in hinge-moment loading are illustrated.

Edwards, J. W.↗

Distribution function of continuously created newborn and pickup ions in outer cometary exospheres

The time evolution of the distribution function of newborn ions in the solar wind is investigated using a quasi-linear-type diffusion equation. The initial distribution is taken to be a ring beam, which is approximated by delta function in pitch angle and velocity, and it is assumed that the ions are created at a constant rate with a similar distribution. A long-time asymptotic form of ion distribution is obtained, which is a mixture of newborn ions and ions generated throughout the entire process. It is shown that the time asymptotic distribution function exists even in the presence of a continuous ionization process. The stability of the long-time asymptotic distribution was examined for the case of parallel propagation, and the results show that the distribution function can be unstable to low-frequency hydromagnetic waves. The results of the analysis were found to agree with recent satellite observations.

Gaffey, J. D., Jr.↗

A Model for Jet-Surface Interaction Noise Using Physically Realizable Upstream Turbulence Conditions

This paper is a continuation of previous work in which a generalized Rapid Distortion Theory (RDT) formulation was used to model low-frequency trailing-edge noise. The research was motivated by proposed next-generation aircraft configurations where the exhaust system is tightly integrated with the airframe. Data from recent experiments at NASA on the interaction between high-Reynolds-number subsonic jet flows and an external flat plate showed that the power spectral density (PSD) of the far-field pressure underwent considerable amplification at low frequencies. For example, at the 900 observation angle, the low-frequency noise could be as much as 10dB greater than the jet noise itself. In this paper, we present predictions of the noise generated by the interaction of a rectangular jet with the trailing edge of a semi-infinite flat plate. The calculations are based on a formula for the acoustic spectrum of this noise source derived from an exact formal solution of the linearized Euler equations involving (in this case) one arbitrary convected scalar quantity and a Rayleigh equation Green's function. A low-frequency asymptotic approximation for the Green's function based on a two-dimensional mean flow is used in the calculations along with a physically realizable upstream turbulence spectrum, which includes a finite de-correlation region. Numerical predictions, based on three-dimensional RANS solutions for a range of subsonic acoustic Mach number jets and nozzle aspect ratios are compared with experimental data. Comparisons of the RANS results with flow data are also presented for selected cases. We find that a finite decorrelation region increases the low-frequency algebraic decay (the low frequency "rolloff") of the acoustic spectrum with angular frequency thereby producing much closer agreement with noise data for Strouhal numbers less than 0.1. Secondly, the large-aspectratio theory is able to predict the low-frequency amplification due to the jet-edge interaction reasonably well, even for moderate aspect ratio nozzles. We show also that the noise predictions for smaller aspect ratio jets can be fine-tuned using the appropriate RANS-based mean flow and turbulence properties.

Jet↗

A Model for Jet-Surface Interaction Noise Using Physically Realizable Upstream Turbulence Conditions

This paper is a continuation of previous work in which a generalized Rapid Distortion Theory (RDT) formulation was used to model low-frequency trailing-edge noise. The research was motivated by proposed next-generation aircraft configurations where the exhaust system is tightly integrated with the airframe. Data from recent experiments at NASA on the interaction between high-Reynolds-number subsonic jet flows and an external flat plate showed that the power spectral density (PSD) of the far-field pressure underwent considerable amplification at low frequencies. For example, at the 900 observation angle, the low-frequency noise could be as much as 10dB greater than the jet noise itself. In this paper, we present predictions of the noise generated by the interaction of a rectangular jet with the trailing edge of a semi-infinite flat plate. The calculations are based on a formula for the acoustic spectrum of this noise source derived from an exact formal solution of the linearized Euler equations involving (in this case) one arbitrary convected scalar quantity and a Rayleigh equation Green's function. A low-frequency asymptotic approximation for the Green's function based on a two-dimensional mean flow is used in the calculations along with a physically realizable upstream turbulence spectrum, which includes a finite de-correlation region. Numerical predictions, based on three-dimensional RANS solutions for a range of subsonic acoustic Mach number jets and nozzle aspect ratios are compared with experimental data. Comparisons of the RANS results with flow data are also presented for selected cases. We find that a finite decorrelation region increases the low-frequency algebraic decay (the low frequency "rolloff") of the acoustic spectrum with angular frequency thereby producing much closer agreement with noise data for Strouhal numbers less than 0.1. Secondly, the large-aspectratio theory is able to predict the low-frequency amplification due to the jet-edge interaction reasonably well, even for moderate aspect ratio nozzles. We show also that the noise predictions for smaller aspect ratio jets can be fine-tuned using the appropriate RANS-based mean flow and turbulence properties.

Aircraft↗

A Model for Jet-Surface Interaction Noise Using Physically Realizable Upstream Turbulence Conditions

This paper is a continuation of previous work in which a generalized Rapid Distortion Theory (RDT) formulation was used to model low-frequency trailing-edge noise. The research was motivated by proposed next-generation aircraft configurations where the exhaust system is tightly integrated with the airframe. Data from recent experiments at NASA on the interaction between high-Reynolds-number subsonic jet flows and an external flat plate showed that the power spectral density (PSD) of the far-field pressure underwent considerable amplification at low frequencies. For example, at the 90deg observation angle, the low-frequency noise could be as much as 10 dB greater than the jet noise itself. In this paper, we present predictions of the noise generated by the interaction of a rectangular jet with the trailing edge of a semi-infinite flat plate. The calculations are based on a formula for the acoustic spectrum of this noise source derived from an exact formal solution of the linearized Euler equations involving (in this case) one arbitrary convected scalar quantity and a Rayleigh equation Green's function. A low-frequency asymptotic approximation for the Green's function based on a two-dimensional mean flow is used in the calculations along with a physically realizable upstream turbulence spectrum, which includes a finite decorrelation region. Numerical predictions of the sound field, based on three-dimensional RANS solutions to determine the mean flow, turbulent kinetic energy and turbulence length and time scales, for a range of subsonic acoustic Mach number jets and nozzle aspect ratios are compared with experimental data. Comparisons of the RANS results with flow data are also presented for selected cases. We find that a finite decorrelation region in the turbulence spectrum increases the low-frequency algebraic decay (the low frequency "roll-off") of the acoustic spectrum with angular frequency thereby producing much closer agreement with noise data for Strouhal numbers less than 0.1. Secondly, the large-aspect-ratio theory is able to predict the low-frequency amplification due to the jet-edge interaction reasonably well, even for moderate aspect ratio nozzles. We show also that the noise predictions for smaller aspect ratio jets can be fine-tuned using the appropriate RANS-based mean flow and turbulence properties.

Jet↗

Phased Array Characterization of Slat Noise Radiation from a High-Lift Common Research Model

A test campaign was conducted in the open-jet test section of the NASA Langley 14- by 22-Foot Subsonic Tunnel on a 10%-scale, semispan version of a High-Lift Common Research Model (CRM-HL) incorporating a leading-edge slat, trailing-edge flap and removable high-fidelity main landing gear. Far field acoustic measurements were obtained on baseline and acoustically treated model configurations using a traversing 97-microphone phased array that viewed the pressure side of the airframe. A modified version of the DAMAS deconvolution method incorporating corrections for shear layer acoustic wave decorrelation was employed to determine the locations and strengths of relevant noise sources along the span of the slat and in the vicinity of the flap edges and landing gear. The main goal of the test campaign was to use the array data to evaluate the effectiveness of various slat noise reduction concepts. It was found that slat-gap fillers produced significant broadband noise reduction for all Mach numbers and airfoil angles of attack that were investigated. Mach number scaling revealed an approximate velocity to the sixth power relationship for the slat noise at higher frequencies. Directivity measurements obtained from integration of DAMAS pressure-squared values over defined geometric zones around the model showed that baseline slat noise radiation approximated a dipole as a function of polar emission angle, becoming approximately omnidirectional with the introduction of the slat-gap filler. The test campaign clearly demonstrated the noise reduction benefits that can be obtained by applying appropriate treatments to leading edge slats on commercial transport-class aircraft.

William M Humphreys, Jr.↗

Machine-Learned Committor Functions for Reactive Molecular Dynamics

Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.

polymer simulations↗

Probabilistic and deterministic aspects of linear estimation in geodesy

Recent advances in observational techniques related to geodetic work (VLBI, laser ranging) make it imperative that more consideration should be given to modeling problems. Uncertainties in the effect of atmospheric refraction, polar motion and precession-nutation parameters, cannot be dispensed with in the context of centimeter level geodesy. Even physical processes that have generally been previously altogether neglected (station motions) must now be taken into consideration. The problem of modeling functions of time or space, or at least their values at observation points (epochs) is explored. When the nature of the function to be modeled is unknown. The need to include a limited number of terms and to a priori decide upon a specific form may result in a representation which fails to sufficiently approximate the unknown function. An alternative approach of increasing application is the modeling of unknown functions as stochastic processes.

Dermanis, A.↗

An Interactive MATLAB Program for Fitting Transfer Functions to Frequency Responses

A computer program called FRFit (Frequency Response Fitting) is described for fitting single-input single-output transfer function models to empirical frequency response data. The program is interactive in that the user specifies ``elementary factors'' (gain, delay, pure differentiators and integrators, and first- and second-order zeros and poles) by entering numerical values or moving sliders in a graphical user interface. A nonlinear optimization can then be performed to obtain maximum likelihood estimates of transfer function parameters and uncertainties to provide feedback on the modeling and refine estimates. Several examples are discussed, including the identification of aircraft pitch dynamics from simulation data and data reported in the literature, approximating Theodorsen's function of unsteady aerodynamics, and obtaining a reduced-order model of a computational fluid dynamics code describing the unsteady aerodynamics around an aeroelastic wing. The program has some usefulness as a teaching aid, and can be applied to model structure determination, reduced-order modeling, preliminary analysis, and simple system identification problems. The program was written in MATLAB and is planned for public release through the NASA Software Catalog.

System identification↗

Time correlation functions in classical dense fluids

The velocity autocorrelation functions and memory functions of dense classical fluids may be directly obtained from the static radial distribution function g(r) in an approximate way. Following the Mori projection operator formalism, the memory functions may be related to the fluctuating force correlation. At low densities, these functions may be evaluated by following the trajectories of particle pairs in the interatomic potential. At higher densities, the force correlation functions can be evaluated approximately from particle pair trajectories via the potential of the mean force. The results for argon fluids at various densities and temperatures agree satisfactorily with the molecular dynamics and the Enskog values. The decrease of the diffusion coefficient with density is partly due to the nature of g(r) which reflects the stronger clustering of atoms at higher densities.

Tsang, T.↗