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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 307 records · Page 17

Statistical analysis of the modal properties of large structural systems.

A theory is developed to predict eigenvalue and eigenvector uncertainty in large dynamic models. The uncertainty is based on physical property uncertainty and should not be confused with numerical roundoff, although the method can be extended to include the latter. The theory, when implemented on a computer, is used to analyze the uncertainties in frequencies and mode shapes based on uncertainties in mass, stiffness, modulus of elasticity, etc. The method incorporates a linear statistical model which is quite adequate for handling property uncertainties of 10% or more. The model is not limited to small systems but uses certain statistical assumptions as well as selective matrix manipulations to keep the size of all matrix operations to within the number of degrees of freedom of the system. Examples are given for two longitudinal vibration problems, and the results are supported by a Monte Carlo analysis.

Collins, J. D.↗

An assessment of crustal thickness variations on the lunar near side - Models, uncertainties, and implications for crustal differentiation

The paper presents a series of models for the structure of lunar nearside crust which are consistent with the observed gravity and topography. Each crustal model is derived subject to a specific set of constraints and assumptions. The assumptions/constraints considered include strict isostatic equilibrium, pure Airy compensation mechanism, pure Pratt compensation mechanism, assignment of assumed fixed values for mare basalt thickness, and attribution of all superisostatic mass in the maria to basalt fill. The resulting models are used to assess the degree and mechanism of isostasy, and to investigate the thickness of the mare basalt. Details of the lateral variations in crustal thickness or density and in the degree of isostatic compensation bear strongly on the mode of early crustal differentiation and on the subsequent thermal history of the moon.

Thurber, C. H.↗

Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction

Deep learning models have proven to be a powerful tool for the prediction of molecular properties for applications including drug design and the development of energy storage materials. However, in order to learn accurate and robust structure–property mappings, these models require large amounts of data which can be a challenge to collect given the time and resource-intensive nature of experimental material characterization efforts. Additionally, such models fail to generalize to new types of molecular structures that were not included in the model training data. The acceleration of material development through uncertainty-guided experimental design has the promise to significantly reduce the data requirements and enable faster generalization to new types of materials. To evaluate the potential of such approaches for electrolyte design applications, we perform comprehensive evaluation of existing uncertainty quantification methods on the prediction of two relevant molecular properties - aqueous solubility and redox potential. We develop novel evaluation methods to probe the utility of the uncertainty estimates for both in-domain and out-of-domain data sets. Finally, we leverage selected uncertainty estimation methods for active learning to evaluate their capacity to support experimental design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrating deep neural networks with full-waveform inversion: Reparameterization, regularization, and uncertainty quantification

Full-waveform inversion (FWI) is an accurate imaging approach for modeling the velocity structure by minimizing the misfit between recorded and predicted seismic waveforms. However, the strong nonlinearity of FWI resulting from fitting oscillatory waveforms can trap the optimization in local minima. We have adopted a neural-network-based full-waveform inversion (NNFWI) method that integrates deep neural networks with FWI by representing the velocity model with a generative neural network. Neural networks can naturally introduce spatial correlations as regularization to the generated velocity model, which suppresses noise in the gradients and mitigates local minima. Furthermore, the velocity model generated by neural networks is input to the same partial differential equation (PDE) solvers used in conventional FWI. The gradients of the neural networks and PDEs are calculated using automatic differentiation, which back propagates gradients through the acoustic PDEs and neural network layers to update the weights of the generative neural network. Experiments on 1D velocity models, the Marmousi model, and the 2004 BP model determine that NNFWI can mitigate local minima, especially for imaging high-contrast features such as salt bodies, and it significantly improves the inversion in the presence of noise. Adding dropout layers to the neural network model also allows analyzing the uncertainty of the inversion results through Monte Carlo dropout. NNFWI opens a new pathway to combine deep learning and FWI for exploiting the characteristics of deep neural networks and the high accuracy of PDE solvers. Because NNFWI does not require extra training data and optimization loops, it provides an attractive and straightforward alternative to conventional FWI.

58 GEOSCIENCES↗

Robust H-infinity control synthesis method and its application to benchmark problems

This paper presents a robust H-infinity control synthesis method for structured parameter uncertainty. The robust H-infinity control design methodology is also incorporated with the so-called internal model principle for persistent-disturbance rejection. A noncollocated control problem of flexible space structures subject to parameter variations is used to illustrate the design methodology. It is shown that the proposed design method invariably makes use of nonminimum-phase compensation and that it achieves the desired asymptotic disturbance rejection by having a disturbance rejection 'dipole'.

Wie, Bong↗

Static and Dynamic Model Update of an Inflatable/Rigidizable Torus Structure

The present work addresses the development of an experimental and computational procedure for validating finite element models. A torus structure, part of an inflatable/rigidizable Hexapod, is used to demonstrate the approach. Because of fabrication, materials, and geometric uncertainties, a statistical approach combined with optimization is used to modify key model parameters. Static test results are used to update stiffness parameters and dynamic test results are used to update the mass distribution. Updated parameters are computed using gradient and non-gradient based optimization algorithms. Results show significant improvements in model predictions after parameters are updated. Lessons learned in the areas of test procedures, modeling approaches, and uncertainties quantification are presented.

Horta, Lucas G.↗

Towards grounding nuclear physics in QCD

Exascale computing could soon enable a predictive theory of nuclear structure and reactions rooted in the Standard Model, with quantifiable and systematically improvable uncertainties. Such a predictive theory will help exploit experiments that use nucleons and nuclei as laboratories for testing the Standard Model and its limitations. Examples include direct dark matter detection, neutrinoless double beta decay, and searches for permanent electric dipole moments of the neutron and atoms. It will also help connect QCD to the properties of cold neutron stars and hot supernova cores. We discuss how a quantitative bridge between QCD and the properties of nuclei and nuclear matter will require a synthesis of lattice QCD (especially as applied to two- and three- nucleon interactions), effective field theory, and ab initio methods for solving the nuclear many-body problem. While there are significant challenges that must be addressed in developing this triad of theoretical tools, the rapid advance of computing is accelerating progress. In particular, we focus this review on the anticipated advances from lattice QCD and how these advances will impact few-body effective theories of nuclear physics by providing critical input, such as constraints on unknown low-energy constants of the effective (field) theories. We also review particular challenges that must be overcome for the successful application of lattice QCD for low-energy nuclear physics. We describe progress in developing few-body effective (field) theories of nuclear physics, with an emphasis on HOBET, a non-relativistic effective theory of nuclear physics, which is less common in the literature. We use the examples of neutrinoless double beta decay and the nuclear-matter equation of state to illustrate how the coupling of lattice QCD to effective theory might impact our understanding of symmetries and exotic astrophysical environments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Generalized Copula-Polynomial Chaos Expansion for Probabilistic Power Flow Considering Nonlinear Correlations of PV Injections

This paper develops a generalized Copula-polynomial chaos expansion (PCE) framework for power system probabilistic power flow that can handle both linear and nonlinear correlations of uncertain power injections, such as wind and PVs. A data-driven Copula statistical model is used to capture the correlations of uncertain power injections. This allows us to resort to the Rosenblatt transformation to transform correlated variables into independent ones while preserving the dependence structure. This paves the way of leveraging the PCE for surrogate modeling and uncertainty quantification of power flow results, i.e., achieving the probabilistic distributions of power flows. Simulations carried out on the IEEE 57-bus system show that the proposed framework can get much more accurate results than other alternatives with different linear and nonlinear power injection correlations.

copula↗

Synthesis of a modern/classical controller for large space structures

The paper is concerned with wide-sense stationary random vibrations of a representative large space structure subject to nonwhite excitations, and with synthesis of its controller amid modeling uncertainties due to truncated modes. Dynamics is analyzed by residue calculus in frequency domain. Steady state variance of a modal coordinate is shown to depend on, among other things, power spectral density of excitation at the modal frequency. Modal cost analysis is performed for an order reduction with a performance objective of attitude, attitude rate and energy control. Optimal and suboptimal output feedback controllers are compared. By treating deleted modes as an additive and a multiplicative perturbation in an idealized transfer function, the low frequency modes omitted according to modal cost analysis are found to cause instability. Finally, the size of the idealized model is shown to be governed by light damping and stringency in performance and stability specifications.

Hablani, H. B.↗

Predictions of the structure of turbulent, particle-laden, round jets

Models of gas and particle motion in turbulent, particle-laden, round jets were evaluated using existing measurements of flow structure. Three models were considered: (1) a locally homogeneous flow model, where velocities and turbulent mixing properties of both phases were assumed to be equal; (2) a deterministic separated flow model, where interphase slip was considered but effects of turbulent dispersion were ignored; and (3) a stochastic separated flow model where effects of interphase slip and turbulent dispersion were considered using random sampling techniques. In all three cases, mean and turbulent properties of the continuous phase were found with a well-calibrated k-epsilon model. The locally homogeneous flow and deterministic separated flow models over- and underestimated particle spread and flow development rates, respectively. The stochastic separated flow model, however, yielded satisfactory predictions of flow structure - except at high particle loadings. Uncertainties in initial conditions for the measurements and possible effects of turbulence modulation by the particles are proposed as the reason for these errors.

Shuen, J.-S.↗

Multi-application controls: Robust nonlinear multivariable aerospace controls applications

This viewgraph presentation describes the general methodology used to apply Honywell's Multi-Application Control (MACH) and the specific application to the F-18 High Angle-of-Attack Research Vehicle (HARV) including piloted simulation handling qualities evaluation. The general steps include insertion of modeling data for geometry and mass properties, aerodynamics, propulsion data and assumptions, requirements and specifications, e.g. definition of control variables, handling qualities, stability margins and statements for bandwidth, control power, priorities, position and rate limits. The specific steps include choice of independent variables for least squares fits to aerodynamic and propulsion data, modifications to the management of the controls with regard to integrator windup and actuation limiting and priorities, e.g. pitch priority over roll, and command limiting to prevent departures and/or undesirable inertial coupling or inability to recover to a stable trim condition. The HARV control problem is characterized by significant nonlinearities and multivariable interactions in the low speed, high angle-of-attack, high angular rate flight regime. Systematic approaches to the control of vehicle motions modeled with coupled nonlinear equations of motion have been developed. This paper will discuss the dynamic inversion approach which explicity accounts for nonlinearities in the control design. Multiple control effectors (including aerodynamic control surfaces and thrust vectoring control) and sensors are used to control the motions of the vehicles in several degrees-of-freedom. Several maneuvers will be used to illustrate performance of MACH in the high angle-of-attack flight regime. Analytical methods for assessing the robust performance of the multivariable control system in the presence of math modeling uncertainty, disturbances, and commands have reached a high level of maturity. The structured singular value (mu) frequency response methodology is presented as a method for analyzing robust performance and the mu-synthesis method will be presented as a method for synthesizing a robust control system. The paper concludes with the author's expectations regarding future applications of robust nonlinear multivariable controls.

Enns, Dale F.↗

Aeroelastic Uncertainty Quantification Studies Using the S4T Wind Tunnel Model

This paper originates from the joint efforts of an aeroelastic study team in the Applied Vehicle Technology Panel from NATO Science and Technology Organization, with the Task Group number AVT-191, titled "Application of Sensitivity Analysis and Uncertainty Quantification to Military Vehicle Design." We present aeroelastic uncertainty quantification studies using the SemiSpan Supersonic Transport wind tunnel model at the NASA Langley Research Center. The aeroelastic study team decided treat both structural and aerodynamic input parameters as uncertain and represent them as samples drawn from statistical distributions, propagating them through aeroelastic analysis frameworks. Uncertainty quantification processes require many function evaluations to asses the impact of variations in numerous parameters on the vehicle characteristics, rapidly increasing the computational time requirement relative to that required to assess a system deterministically. The increased computational time is particularly prohibitive if high-fidelity analyses are employed. As a remedy, the Istanbul Technical University team employed an Euler solver in an aeroelastic analysis framework, and implemented reduced order modeling with Polynomial Chaos Expansion and Proper Orthogonal Decomposition to perform the uncertainty propagation. The NASA team chose to reduce the prohibitive computational time by employing linear solution processes. The NASA team also focused on determining input sample distributions.

Nikbay, Melike↗

Power market models for the clean energy transition: State of the art and future research needs

As power systems around the world are rapidly evolving to achieve decarbonization objectives, it is crucial that power system planners and operators use appropriate models and tools to analyze and address the associated challenges. This paper provides a detailed overview of the properties of power market models in the context of the clean energy transition. We review common power market model methodologies, their readiness for low- and zero-carbon grids, and new power market trends. Based on the review, we suggest model improvements and new designs to increase modeling capabilities for future grids. The paper highlights key modeling concepts related to power system flexibility, with a particular focus on hydropower and energy storage, as well as the representation of grid services, price formation, temporal structure, and the importance of uncertainty. We find that a changing resource mix, market restructuring, and growing price uncertainty require more precise modeling techniques to adequately capture the new technology constraints and the dynamics of future power markets. In particular, models must adequately represent resource opportunity costs, multi-horizon flexibility, and energy storage capabilities across the full range of grid services. Moreover, at the system level, it is increasingly important to consider sub-hourly time resolution, enhanced uncertainty representation, and introduce co-optimization for dual market clearing of energy and grid services. Likewise, models should capture interdependencies between multiple energy carriers and demand sectors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Structured Covariance Gaussian Networks for Orion Crew Module Aerodynamic Uncertainty Quantification

In this paper we propose a new approach for nonlinear regression and uncertainty quantification. The method is based on a pair of neural networks which parameterize mean and dense covariance functions of a multivariate Gaussian process, trained together to maximize the log-likelihood of observing the given data. The covariance matrix is made positive definite at every input by construction. We also propose a sampling approach that produces viable surrogate function realizations from the Gaussian process. We call the proposed model a Structured Covariance Gaussian Network (SCGN). We illustrate the use of SCGNs for learning an aerodynamic response surface with built-in uncertainty for the Orion crew module. We find that SCGN provides an efficient and systematic way to learn nonlinear functional relationships and dense covariances. We compare results to a baseline Gaussian process regressor and observe that the SCGN provides comparable uncertainty descriptions with improved scalability to dataset size. The sample functions generated by SCGN are fast to evaluate online and are therefore convenient for use in trajectory simulations. These results suggest that SCGN may be a viable computational method for aerodynamic uncertainty quantification.

machine learning↗

Structured Covariance Gaussian Networks for Orion Crew Module Aerodynamic Uncertainty Quantification

In this paper we propose a new approach for nonlinear regression and uncertainty quantification. The method is based on a pair of neural networks which parameterize mean and dense covariance functions of a multivariate Gaussian process, trained together to maximize the log-likelihood of observing the given data. The covariance matrix is made positive definite at every input by construction. We also propose a sampling approach that produces viable surrogate function realizations from the Gaussian process. We call the proposed model a Structured Covariance Gaussian Network (SCGN). We illustrate the use of SCGNs for learning an aerodynamic response surface with built-in uncertainty for the Orion crew module. We find that SCGN provides an efficient and systematic way to learn nonlinear functional relationships and dense covariances. We compare results to a baseline Gaussian process regressor and observe that the SCGN provides comparable uncertainty descriptions with improved scalability to dataset size. The sample functions generated by SCGN are fast to evaluate online and are therefore convenient for use in trajectory simulations. These results suggest that SCGN may be a viable computational method for aerodynamic uncertainty quantification.

machine learning↗

SANS quantification of bound water in water-soluble polymers across multiple concentration regimes

Contrast-variation small-angle neutron scattering (CV-SANS) is a widely used technique for quantifying hydration water in soft matter systems, but it is predominantly applied in the dilute regime or for systems with a well-defined structure factor. Here, CV-SANS was used to quantify the number of hydration water molecules associating with three water-soluble polymers with different critical solution temperatures and types of water–solute interactions in dilute, semidilute, and concentrated solution through the exploration of novel methods of data fitting and analysis. Multiple SANS fitting workflows with varying levels of model assumptions were evaluated and compared to give insight into SANS model selection. These fitting pathways ranged from general, model-free algorithms to more standard form and structure factor fitting. In addition, Monte Carlo bootstrapping was evaluated as a method to estimate parameter uncertainty through simulation of technical replicates. The most robust fitting workflow for dilute solutions was found to be form factor fitting without CV-SANS ( i.e. polymer in 100% D 2 O). For semidilute and concentrated solutions, while the model-free approach can be mathematically defined for CV-SANS data, the addition of a structure factor imposes physical constraints on the optimization problem, suggesting that the optimal fitting pathway should include appropriate form and structure factor models. The measured hydration numbers were consistent with the number of tightly bound water molecules associated with each monomer unit, and the concentration dependence of the hydration number was largely governed by the chemistry-specific interactions between water and polymer. Polymers with weaker water–polymer interactions ( i.e. those with fewer hydration water molecules) were found to have more bound water at higher concentrations than those with stronger water–polymer interactions due to the increase in the number of forced water–polymer contacts in the concentrated system. This SANS-based method to count hydration water molecules can be applied to polymers in any concentration regime, which will lead to improved understanding of water–polymer interactions and their impact on materials design.

36 MATERIALS SCIENCE↗

Model Update of a Micro Air Vehicle (MAV) Flexible Wing Frame with Uncertainty Quantification

This paper describes a procedure to update parameters in the finite element model of a Micro Air Vehicle (MAV) to improve displacement predictions under aerodynamics loads. Because of fabrication, materials, and geometric uncertainties, a statistical approach combined with Multidisciplinary Design Optimization (MDO) is used to modify key model parameters. Static test data collected using photogrammetry are used to correlate with model predictions. Results show significant improvements in model predictions after parameters are updated; however, computed probabilities values indicate low confidence in updated values and/or model structure errors. Lessons learned in the areas of wing design, test procedures, modeling approaches with geometric nonlinearities, and uncertainties quantification are all documented.

Reaves, Mercedes C.↗

Probabilistic simulation of the human factor in structural reliability

A formal approach is described in an attempt to computationally simulate the probable ranges of uncertainties of the human factor in structural probabilistic assessments. A multi-factor interaction equation (MFIE) model has been adopted for this purpose. Human factors such as marital status, professional status, home life, job satisfaction, work load and health, are considered to demonstrate the concept. Parametric studies in conjunction with judgment are used to select reasonable values for the participating factors (primitive variables). Suitability of the MFIE in the subsequently probabilistic sensitivity studies are performed to assess the validity of the whole approach. Results obtained show that the uncertainties for no error range from five to thirty percent for the most optimistic case.

Chamis, C. C.↗