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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Stochastic Vector Techniques in Ground-State Electronic Structure

Herein we review a suite of stochastic vector computational approaches for studying the electronic structure of extended condensed matter systems. These techniques help reduce algorithmic complexity, facilitate efficient parallelization, simplify computational tasks, accelerate calculations, and diminish memory requirements. While their scope is vast, we limit our study to ground-state and finite temperature density functional theory (DFT) and second-order many-body perturbation theory. More advanced topics, such as quasiparticle (charge) and optical (neutral) excitations and higher-order processes, are covered elsewhere. We start by explaining how to use stochastic vectors in computations, characterizing the associated statistical errors. Next, we show how to estimate the electron density in DFT and discuss effective techniques to reduce statistical errors. Finally, we review the use of stochastic vectors for calculating correlation energies within the second-order Møller-Plesset perturbation theory and its finite temperature variational form. Example calculation results are presented and used to demonstrate the efficacy of the methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations

Here, we present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method is easy to implement without altering the GW code, converges rapidly with stochastic parameters, and treats systems of various dimensionality and screening response. Our calculations on a 5.75° twisted MoS 2 bilayer show how large-scale GW methods include geometry relaxations and electronic correlations on an equal basis in structurally nontrivial materials.

36 MATERIALS SCIENCE↗

Parallel and vector computation for stochastic optimal control applications

A general method for parallel and vector numerical solutions of stochastic dynamic programming problems is described for optimal control of general nonlinear, continuous time, multibody dynamical systems, perturbed by Poisson as well as Gaussian random white noise. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random atmospheric fluctuations. The numerical formulation is highly suitable for a vector multiprocessor or vectorizing supercomputer, and results exhibit high processor efficiency and numerical stability. Advanced computing techniques, data structures, and hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations.

Hanson, F. B.↗

Optimal ride control for the Twin Otter, STOL aircraft

An aircraft with low wing loading, such as the deHavilland, Twin Otter, exhibits a relatively large acceleration sensitivity to wind gusts. These undesirable aircraft motions can be reduced using an automatic ride control system. In this paper, the techniques of quadratic optimal control theory are utilized to investigate the capabilities of such a ride control system. The effects of the wind gusts on the aircraft can be modeled by a vector stochastic process containing seven states. The impact of this disturbance model on the optimal control system structure is assessed and comparison is made to a system without gust feedback.

Holley, W. E.↗

Analysis and improvement of the vector quantization in SELP (Stochastically Excited Linear Prediction)

The Stochastically Excited Linear Prediction (SELP) algorithm is described as a speech coding method employing a two-stage vector quantization. The first stage uses an adaptive codebook which efficiently encodes the periodicity of voiced speech, and the second stage uses a stochastic codebook to encode the remainder of the excitation signal. The adaptive codebook performs well when the pitch period of the speech signal is larger than the frame size. An extension is introduced, which increases its performance for the case that the frame size is longer than the pitch period. The performance of the stochastic stage, which improves with frame length, is shown to be best in those sections of the speech signal where a high level of short-term correlations is present. It can be concluded that the SELP algorithm performs best during voiced speech where the pitch period is longer than the frame length.

Kleijn, W. B.↗

Vector Lyapunov Functions for Stochastic Interconnected Systems

Theoretical paper presents set of sufficient conditions for asymptotic and exponential stability with probability 1 for class of stochastic interconnected systems. Theory applicable to complicated, large-scale mechanical or electrical systems, and, for several design problems, it reduces computational difficulty by relating stability criteria to fundamental structural features of system.

Boussalis, D.↗

A guidance and navigation system for continuous low thrust vehicles

A midcourse guidance and navigation system for continuous low thrust vehicles is described. A set of orbit elements, known as the equinoctial elements, are selected as the state variables. The uncertainties are modelled statistically by random vector and stochastic processes. The motion of the vehicle and the measurements are described by nonlinear stochastic differential and difference equations respectively. A minimum time nominal trajectory is defined and the equation of motion and the measurement equation are linearized about this nominal trajectory. An exponential cost criterion is constructed and a linear feedback guidance law is derived to control the thrusting direction of the engine. Using this guidance law, the vehicle will fly in a trajectory neighboring the nominal trajectory. The extended Kalman filter is used for state estimation. Finally a short mission using this system is simulated. The results indicate that this system is very efficient for short missions.

Tse, C. J. C.↗

A guidance and navigation system for continuous low-thrust vehicles

A midcourse guidance and navigation system for continuous low thrust vehicles was developed. The equinoctial elements are the state variables. Uncertainties are modelled statistically by random vector and stochastic processes. The motion of the vehicle and the measurements are described by nonlinear stochastic differential and difference equations respectively. A minimum time trajectory is defined; equations of motion and measurements are linearized about this trajectory. An exponential cost criterion is constructed and a linear feedback quidance law is derived. An extended Kalman filter is used for state estimation. A short mission using this system is simulated. It is indicated that this system is efficient for short missions, but longer missions require accurate trajectory and ground based measurements.

Jack-Chingtse, C.↗

Simplified model of statistically stationary spacecraft rotation and associated induced gravity environments

A stochastic model of spacecraft motion was developed based on the assumption that the net torque vector due to crew activity and rocket thruster firings is a statistically stationary Gaussian vector process. The process had zero ensemble mean value, and the components of the torque vector were mutually stochastically independent. The linearized rigid-body equations of motion were used to derive the autospectral density functions of the components of the spacecraft rotation vector. The cross-spectral density functions of the components of the rotation vector vanish for all frequencies so that the components of rotation were mutually stochastically independent. The autospectral and cross-spectral density functions of the induced gravity environment imparted to scientific apparatus rigidly attached to the spacecraft were calculated from the rotation rate spectral density functions via linearized inertial frame to body-fixed principal axis frame transformation formulae. The induced gravity process was a Gaussian one with zero mean value. Transformation formulae were used to rotate the principal axis body-fixed frame to which the rotation rate and induced gravity vector were referred to a body-fixed frame in which the components of the induced gravity vector were stochastically independent. Rice's theory of exceedances was used to calculate expected exceedance rates of the components of the rotation and induced gravity vector processes.

Fichtl, G. H.↗

The latitude dependence of the variance of zonally averaged quantities

Geometric characteristics of the spherical earth are shown to be responsible for the increase of variance with latitude of zonally averaged meteorological statistics. An analytic model is constructed to display the effect of a spherical geometry on zonal averages, employing a sphere labeled with radial unit vectors in a real, stochastic field expanded in complex spherical harmonics. The variance of a zonally averaged field is found to be expressible in terms of the spectrum of the vector field of the spherical harmonics. A maximum variance is then located at the poles, and the ratio of the variance to the zonally averaged grid-point variance, weighted by the cosine of the latitude, yields the zonal correlation typical of the latitude. An example is provided for the 500 mb level in the Northern Hemisphere compared to 15 years of data. Variance is determined to increase north of 60 deg latitude.

North, G. R.↗

Probabilistic-learning-based stochastic surrogate model from small incomplete datasets for nonlinear dynamical systems

We consider a high-dimensional nonlinear computational model of a dynamical system, parameterized by a vector-valued control parameter, in the presence of uncertainties represented by an uncontrolled parameter modeled by a vector-valued random variable, and possibly with stochastic excitation. The objective is to construct a statistical surrogate model where the input is any deterministic value of the control parameter, and the output is a vector-valued observation of the computational model, which is a random vector whose probability measure is updated using a target dataset. To construct this statistical surrogate model, the stochastic response of the computational model must be built, which is a vector-valued time-discretized stochastic process in high dimension, depending on the control parameter. It is assumed that the computational cost of a single evaluation of the deterministic model is high. For the probabilistic updating, we consider a subset of the components of the observation of the computational model, defined as the “identification observation” of the computational model, for which a small target dataset is available. Therefore, the target dataset is associated with partial observability, corresponding to an incomplete data case. Given a prior probability model of the random control and uncontrolled parameters, a training dataset is constructed, consisting of realizations of the random triplet composed of the stochastic response, the random identification observation, and the random control parameter. Since the computational cost of a single evaluation of the deterministic model is assumed to be large, the training dataset is also of small size. The main challenges in this problem are the high dimensionality, partial observability leading to incomplete data in the target dataset for the identification observation of the computational model (which is not sufficient to identify the computational stochastic responses), and the availability of a small training dataset. To address these challenges, we propose a methodology based on statistical methods for constructing necessary reduced representations, direct probabilistic learning under constraints using probabilistic learning on manifolds (PLoM) constrained by the target dataset, and the use of a weak formulation of the Fourier transform of probability measures. Statistical conditioning is also employed to explore the learned dataset. The constructed predictive statistical surrogate model can be implemented in the context of online computation. Here, we apply this approach to a problem of nonlinear stochastic dynamics in high dimensions within the framework of deformable solids mechanics.

Engineering↗

Protecting Customer Privacy Through Distributed Energy Resource Anonymization

Due to their stochastic nature, the increase of Renewable Energy Resources (RERs) as a primary source of energy for power grids creates challenges regarding the reliability and resilience of the system. In order to combat these obstacles, expansion of Distributed Energy Resources (DERs) and their participation in Demand Response (DR) programs is necessary. Widespread participation requires prioritizing customer privacy and addressing concerns that may arise regarding communication between DERs and the Grid Service Provider (GSP). This paper discusses the use of flow reservation resources to split the operating cycles of DER load profiles into unique phases. The splitting of phases increases anonymization of the DERs by making it more difficult to determine the individual characteristics of the device. We discuss an example of this using simulated DER load profile data and examine the resulting effectiveness by using a machine learning algorithm for classification, called Support Vector Machine (SVM).

Distributed Energy Resource, Anonymization, Renewa↗

A new approach to the formulation of scalar flux closure

This report shows that if a stochastic differential equation (Langevin equation) for velocity fluctuation vector is known, it is possible to derive the equations for scalar flux transport. Durbin and Speziale (1994) showed that the second moment of this stochastic differential equation gives an equation for the evolution of Reynolds stress tensor. Similarly, the stochastic equation will give an equation for scalar flux. Therefore, a coupling between these two is present. The basis for the present work is that there should be Langevin equations that can produce acceptable models for both the Reynolds stress tensor and the scalar flux vector. Having found this basic Langevin equation, the amount of work needed to model the second order closure problems is reduced; using the well developed models for Reynolds stress equations, it will be possible to derive corresponding models for scalar flux equation.

Shabany, Y.↗

Stochastic estimation of conditional eddies in turbulent channel flow

Several long-standing issues regarding linear estimation and coherent structures are addressed, and some questions that were addressed partially, but never with the benefit of full, three-dimensional information are answered. The objectives were to: determine how well linear estimates approximate the field obtained by true conditional averaging, using events such as those in quadrant analysis; determine the extent to which the three-dimensional linearly estimated fields correspond to coherent structures, and the degree and manner in which they differ; evaluate the type and nature of the structural information gained by employing several different types of events; and learn more about the 3-D structure of important coherent motions that occur in wall turbulence. The results indicate that linear stochastic estimation can be used effectively in the study of numerical data bases consisting of three-dimensional vector fields, both velocity and vorticity. Two-point stochastic estimation yields more structural information and more detail than single-point estimation. The structures observed occurred repeatedly within the flow, but much can not be said about their dominance or the probability of their occurrence without further systematic studies of their frequency.

Adrian, R. J.↗

First astrometric constraints on parity-violation in the gravitational wave background

Astrometry, the precise measurement of stellar positions and velocities, offers a promising approach to probing the low-frequency stochastic gravitational wave background (SGWB). Notably, astrometric vector sky maps are sensitive to parity-violating SGWB signals, which cannot be distinguished using pulsar timing array observations in an isotropic SGWB. We present the first astrometric constraints on parity-violating SGWB using quasar catalogs from Gaia DR3 and VLBA data. By analyzing the EB correlation in the two-point correlation function of the proper motions of the quasars, we find 2σ constraints on the parity-violating SGWB amplitude h 70 2 Ω V = -0.020 ± 0.025 from Gaia DR3 and h 70 2 Ω V = -0.004 ± 0.010 from VLBA. These constraints are valid in the frequency range 4.2 × 10 -18 Hz < f < 1.1 × 10 -8 Hz. Although not currently a tight constraint on theoretical models, this first attempt lays the groundwork for future investigations using more precise astrometric data.

Gravitational waves in GR and beyond: theory↗