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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Kinetics Modeling and Reactor Design Study of Glucose-to-Terpenes Cell-Free Conversion

Cell-free systems offer many advantages over traditional biological conversion by eliminating biological growth constraints. It also offers easy manipulation and finetuning of the reaction conditions for each individual enzyme. The conversion of cellulosic glucose to Limonene, a terpene, is a promising pathway for producing fuels and chemicals. Recent advances in developing cell-free systems focuses on bench scale optimization of terpene yield and to demonstrate its feasibility towards commercialization [1,2]. There is significant knowledge gap regarding reaction kinetics of these cell-free systems to further study how it will perform at larger scale. We present here, our studies on reaction kinetics and reactor design implications of cell-free glucose to Limonene conversion to facilitate the further development and commercialization of this process. We developed a novel kinetic model based on the metabolic-network structure of the cell-free system with multi-substrate reversible Michaelis-Menten rate law. To estimate kinetic parameters for this system of rate equations, we employed Bayesian optimization to perform global search with the assistance of gaussian processes to balance exploration and exploitation. The model parameters estimated showed good results compared with experimental data. The estimated parameters were used to perform sensitivity analysis. We found that Hexokinase is one of the most critical enzymes that affect the conversion of the glucose. We also observed that abundance of co-factors is also critical to the conversion of glucose to limonene. We investigated packed bed reactors with enzymes immobilized on the surface of particles to convert glucose stream into Limonene for larger scale production. The reactor design such as particle size, enzyme loading, and flow rate are found to be critical for improving yields. [1] Dudley, Q.M., Nash, C.J. and Jewett, M.C., 2019. Synthetic Biology, 4(1), p.ysz003. [2] Korman, T.P., Opgenorth, P.H. and Bowie, J.U., 2017. Nature communications, 8(1), p.15526.

09 BIOMASS FUELS↗
NASA NTRS1995

Modeling of aircraft unsteady aerodynamic characteristics. Part 2: Parameters estimated from wind tunnel data

Aerodynamic equations with unsteady effects were formulated for an aircraft in one-degree-of-freedom, small-amplitude, harmonic motion. These equations were used as a model for aerodynamic parameter estimation from wind tunnel oscillatory data. The estimation algorithm was based on nonlinear least squares and was applied in three examples to the oscillatory data in pitch and roll of 70 deg triangular wing and an X-31 model, and in-sideslip oscillatory data of the High Incidence Research Model 2 (HIRM 2). All three examples indicated that a model using a simple indicial function can explain unsteady effects observed in measured data. The accuracy of the estimated parameters and model verification were strongly influenced by the number of data points with respect to the number of unknown parameters.

Klein, Vladislav↗
DOE OSTI2021

Utilizing Environmental Tracers to Reduce Groundwater Flow and Transport Model Parameter Uncertainties

Abstract Non‐uniqueness in groundwater model calibration is a primary source of uncertainty in groundwater flow and transport predictions. In this study, we investigate the ability of environmental tracer information to constrain groundwater model parameters. We utilize a pilot point calibration procedure conditioned to subsets of observed data including: liquid pressures, tritium ( 3 H), chlorofluorocarbon‐12 (CFC‐12), and sulfur hexafluoride (SF 6 ) concentrations; and groundwater apparent ages inferred from these environmental tracers, to quantify uncertainties in the heterogeneous permeability fields and infiltration rates of a steady‐state 2‐D synthetic aquifer and a transient 3‐D model of a field site located near Riverton, Wyoming (USA). To identify the relative data worth of each observation data type, the post‐calibration uncertainties of the optimal parameters for a given observation subset are compared to that from the full observation data set. Our results suggest that the calibration‐constrained permeability field uncertainties are largest when liquid pressures are used as the sole calibration data set. We find significant reduction in permeability uncertainty and increased predictive accuracy when the environmental tracer concentrations, rather than apparent groundwater ages, are used as calibration targets in the synthetic model. Calibration of the Riverton field site model using environmental tracer concentrations directly produces infiltration rate estimates with the lowest uncertainties, however; permeability field uncertainties remain similar between the environmental tracer concentration and apparent groundwater age calibration scenarios. This work provides insight on the data worth of environmental tracer information to calibrate groundwater models and highlights potential benefits of directly assimilating environmental tracer concentrations into model parameter estimation procedures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Bridging Hydrological Ensemble Simulation and Learning Using Deep Neural Operators

Ensemble-based simulation and learning (ESnL) has long been used in hydrology for parameter inference, but computational demands of process-based ESnL can be quite high. To address this issue, we propose a deep neural operator learning approach. Neural operators are generic machine learning algorithms that can learn functional mappings between infinite-dimensional spaces, providing a highly flexible tool for scientific machine learning. Our approach is built upon DeepONet, a specific deep neural operator, and is designed to address several common problems in hydrology, namely, model parameter estimation, prediction at ungaged locations, and uncertainty quantification. Here we demonstrate the effectiveness of our DeepONet-based workflow using an existing large model ensemble created for an eastern U.S. watershed that is instrumented with 10 streamflow gages. Results suggest DeepONet achieves high efficiency in learning an ML surrogate model from the model ensemble, with the modified Kling-Gupta Efficiency exceeding 0.9 on holdout test sets. Parameter inference, carried out using the trained DeepONet surrogate model and genetic algorithm, also yields robust results. Additionally, we formulate and train a separate DeepONet model for physics-informed, seq-to-seq streamflow forecasting, which further reduces biases in the pre-trained DeepONet surrogate model. While this study focuses primarily on a single watershed, our approach is general and may be extended to enable learning from model ensembles across multiple basins or models. Thus, this research represents a significant contribution to the application of hybrid machine learning in hydrology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A Differentiable Hydrology Approach for Modeling With Time-Varying Parameters

In the analysis of observational data with mathematical models, it is often desirable to let one or more model parameters vary with time to account for changing environmental conditions or to offer more flexibility. A standard approach for dynamic models is to allow for the number of parameters to grow as a function of time, leading to a high-dimensional inference problem for long data records. We propose using Hamiltonian Monte Carlo, a gradient-based Markov chain Monte Carlo (MCMC) method, to perform Bayesian inference for time-varying parameters (TVP) in hydrology models. As derivatives of model error functions with regard to parameters are not available in closed form, we implemented the GR4J rainfall-runoff models in Theano/PyMC3, and Jax/NumPyro, allowing for the application of automatic differentiation techniques. A simulation experiment assessing the viability of these methods for recovering underlying temporal variation in parameters indicates that a discrete Gaussian random walk-based prior appears to be best suited across a range of scenarios while the continuous-time Gaussian process compares relatively poorly. In an analysis of 20 years of daily real-world streamflow records from the Model Parameter Estimation Experiment (MOPEX) hydrology data set with increasing data sparsity and at multiple temporal resolutions, we find that TVP inference with gradient-based MCMC is a flexible and reliable approach for analyzing hydrology models with dynamic parameter sets.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Parameter Estimation of Spacecraft Fuel Slosh Model

Fuel slosh in the upper stages of a spinning spacecraft during launch has been a long standing concern for the success of a space mission. Energy loss through the movement of the liquid fuel in the fuel tank affects the gyroscopic stability of the spacecraft and leads to nutation (wobble) which can cause devastating control issues. The rate at which nutation develops (defined by Nutation Time Constant (NTC can be tedious to calculate and largely inaccurate if done during the early stages of spacecraft design. Pure analytical means of predicting the influence of onboard liquids have generally failed. A strong need exists to identify and model the conditions of resonance between nutation motion and liquid modes and to understand the general characteristics of the liquid motion that causes the problem in spinning spacecraft. A 3-D computerized model of the fuel slosh that accounts for any resonant modes found in the experimental testing will allow for increased accuracy in the overall modeling process. Development of a more accurate model of the fuel slosh currently lies in a more generalized 3-D computerized model incorporating masses, springs and dampers. Parameters describing the model include the inertia tensor of the fuel, spring constants, and damper coefficients. Refinement and understanding the effects of these parameters allow for a more accurate simulation of fuel slosh. The current research will focus on developing models of different complexity and estimating the model parameters that will ultimately provide a more realistic prediction of Nutation Time Constant obtained through simulation.

Gangadharan, Sathya↗
NASA NTRS2012

Efficient Global Aerodynamic Modeling from Flight Data

A method for identifying global aerodynamic models from flight data in an efficient manner is explained and demonstrated. A novel experiment design technique was used to obtain dynamic flight data over a range of flight conditions with a single flight maneuver. Multivariate polynomials and polynomial splines were used with orthogonalization techniques and statistical modeling metrics to synthesize global nonlinear aerodynamic models directly and completely from flight data alone. Simulation data and flight data from a subscale twin-engine jet transport aircraft were used to demonstrate the techniques. Results showed that global multivariate nonlinear aerodynamic dependencies could be accurately identified using flight data from a single maneuver. Flight-derived global aerodynamic model structures, model parameter estimates, and associated uncertainties were provided for all six nondimensional force and moment coefficients for the test aircraft. These models were combined with a propulsion model identified from engine ground test data to produce a high-fidelity nonlinear flight simulation very efficiently. Prediction testing using a multi-axis maneuver showed that the identified global model accurately predicted aircraft responses.

Morelli, Eugene A.↗
NASA NTRS2011

User Selection Criteria of Airspace Designs in Flexible Airspace Management

A method for identifying global aerodynamic models from flight data in an efficient manner is explained and demonstrated. A novel experiment design technique was used to obtain dynamic flight data over a range of flight conditions with a single flight maneuver. Multivariate polynomials and polynomial splines were used with orthogonalization techniques and statistical modeling metrics to synthesize global nonlinear aerodynamic models directly and completely from flight data alone. Simulation data and flight data from a subscale twin-engine jet transport aircraft were used to demonstrate the techniques. Results showed that global multivariate nonlinear aerodynamic dependencies could be accurately identified using flight data from a single maneuver. Flight-derived global aerodynamic model structures, model parameter estimates, and associated uncertainties were provided for all six nondimensional force and moment coefficients for the test aircraft. These models were combined with a propulsion model identified from engine ground test data to produce a high-fidelity nonlinear flight simulation very efficiently. Prediction testing using a multi-axis maneuver showed that the identified global model accurately predicted aircraft responses.

Lee, Hwasoo E.↗
NASA NTRS2008

Parameter Estimation using Numerical Merger Waveforms

Results: Developed parameter estimation model integrating complete waveforms and improved instrumental models. Initial results for equal-mass non-spinning systems indicate moderate improvement in most parameters, significant improvement in some Near-term improvement: a) Improved statistics; b) T-channel; c) Larger parameter space coverage. Combination with other results: a) Higher harmonics; b) Spin precession; c) Instrumental effects.

Thorpe, J. I.↗
NASA NTRS1996

Flight test maneuvers for closed loop lateral-directional modeling of the F-18 High Alpha Research Vehicle (HARV) using forebody strakes

Flight test maneuvers are specified for the F-18 High Alpha Research Vehicle (HARV). The maneuvers were designed for closed loop parameter identification purposes, specifically for lateral linear model parameter estimation at 30, 45, and 60 degrees angle of attack, using the Actuated Nose Strakes for Enhanced Rolling (ANSER) control law in Strake (S) model and Strake/Thrust Vectoring (STV) mode. Each maneuver is to be realized by applying square wave inputs to specific pilot station controls using the On-Board Excitation System (OBES). Maneuver descriptions and complete specification of the time/amplitude points defining each input are included, along with plots of the input time histories.

Morelli, E. A.↗
NASA NTRS1999

Analysis of Wind Tunnel Oscillatory Data of the X-31A Aircraft

Wind tunnel oscillatory tests in pitch, roll, and yaw were performed on a 19%-scale model of the X-31A aircraft. These tests were used to study the aerodynamic characteristics of the X-31A in response to harmonic oscillations at six frequencies. In-phase and out-of-phase components of the aerodynamic coefficients were obtained over a range of angles of attack from 0 to 90 deg. To account for the effect of frequency on the data, mathematical models with unsteady terms were formulated by use of two different indicial functions. Data from a reduced set of frequencies were used to estimate model parameters, including steady-state static and dynamic stability derivatives. Both models showed good prediction capability and the ability to accurately fit the measured data. Estimated static stability derivatives compared well with those obtained from static wind tunnel tests. The roll and yaw rate derivative estimates were compared with rotary-balanced wind tunnel data and theoretical predictions. The estimates and theoretical predictions were in agreement at small angles of attack. The rotary-balance data showed, in general, acceptable agreement with the steady-state derivative estimates.

Smith, Mark S.↗
DOE OSTI2025

First measurement of symmetric cumulants of hexagonal flow harmonics in Pb-Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

Correlations between event-by-event fluctuations of anisotropic flow harmonics are measured in Pb-Pb collisions at a center-of-mass energy per nucleon pair of 5.02 TeV, as recorded by the ALICE detector at the LHC. This study presents correlations up to the hexagonal flow harmonic 𝑣 6 , which was measured for the first time. The magnitudes of these higher-order correlations are found to vary as a function of collision centrality and harmonic order. These measurements are compared to viscous hydrodynamic model calculations with EKRT initial conditions and to the iEBE-VISHNU model with T R ⁢ENTo initial conditions. The observed discrepancies between the data and the model calculations vary depending on the harmonic combinations. Due to the sensitivity of model parameters estimated with Bayesian analyses to these higher-order observables, the results presented in this work provide new and independent constraints on the initial conditions and transport properties in theoretical models used to describe the system created in heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Parameter estimation in linear models of the human operator in a closed loop with application of deterministic test signals

Parameter estimation techniques are discussed with emphasis on unbiased estimates in the presence of noise. A distinction between open and closed loop systems is made. A method is given based on the application of external forcing functions consisting of a sun of sinusoids; this method is thus based on the estimation of Fourier coefficients and is applicable for models with poles and zeros in open and closed loop systems.

Vanlunteren, A.↗
DOE OSTI2024

Power modeling of degraded PV systems: Case studies using a dynamically updated physical model (PV-Pro)

Power modeling, widely applied for health monitoring and power prediction, is crucial for the efficiency and reliability of Photovoltaic (PV) systems. The most common approach for power modeling uses a physical equivalent circuit model, with the core challenge being the estimation of model parameters. Traditional parameter estimation either relies on datasheet information, which does not reflect the system's current health status, especially for degraded PV systems, or requires additional I-V characterization, which is generally unavailable for large-scale PV systems. Thus, we build upon our previously developed tool, PV-Pro (originally proposed for degradation analysis), to enhance its application for power modeling of degraded PV systems. PV-Pro extracts model parameters from production data without requiring I-V characterization. This dynamic model, periodically updated, can closely capture the actual degradation status, enabling precise power modeling. PV-Pro is compared with popular power modeling techniques, including persistence, nominal physical, and various machine learning models. The results indicate that PV-Pro achieves outstanding power modeling performance, with an average nMAE of 1.4 % across four field-degraded PV systems, reducing error by 17.6 % compared to the best alternative technique. Furthermore, PV-Pro demonstrates robustness across different seasons and severities of degradation. The tool is available as a Python package at https://github.com/DuraMAT/pvpro.

14 SOLAR ENERGY↗
NASA NTRS1981

The potential role of aerobic biological waste treatment in regenerative life support systems

The purpose of the paper is to make a preliminary assessment of the feasibility of using aerobic biological waste treatment in closed systems. Issues that are addressed in this paper are: (1) how high a degree of material balance is possible, (2) how much might such a system weigh, and (3) how would system closure and weight be affected if animals were included in the system. A computer model has been developed to calculate for different scenarios the compositions and amounts of the streams entering or leaving the waste treatment system and to estimate the launch weight of such a system. A bench scale apparatus has been built to mimic the proposed waste treatment system; the experiments are used to verify model predictions and to improve model parameter estimations.

Shuler, M. L.↗
DOE OSTI2026

Toward real-time optimization through model reduction and model discrepancy sensitivities

Optimization problems arise in a range of scenarios, from optimal control to model parameter estimation. In many applications, such as the development of digital twins, it is essential to solve these optimization problems within wall-clock-time limitations. However, this is often unattainable for complex systems, such as those modeled by nonlinear partial differential equations. One strategy for mitigating this issue is to construct a reduced-order model (ROM) that enables more rapid optimization. In particular, the use of nonintrusive ROMs—those that do not require access to the full-order model at evaluation time—is popular because they facilitate the computation of optimization solutions within the wall-clock time requirements. However, the optimization solution will be unreliable if the iterates move outside the ROM training data. This article proposes the use of hyper-differential sensitivity analysis with respect to model discrepancy (HDSA-MD) as a computationally efficient tool to augment ROM-constrained optimization and improve its reliability. The proposed approach consists of two phases: (i) an offline phase where several full-order model evaluations are computed to train the ROM, and (ii) an online phase where a ROM-constrained optimization problem is solved, a limited number of full-order model evaluations are computed, and HDSA-MD is used to enhance the optimization solution. Numerical results are demonstrated for two examples, atmospheric contaminant control and wildfire ignition location estimation, in which a ROM is trained offline using inaccurate atmospheric data. In conclusion, the HDSA-MD update yields a significant improvement in the ROM-constrained optimization solution using only one full-order model evaluation online with corrected atmospheric data.

PDE-constrained optimization↗
NASA NTRSDate not supplied

Application of a Bayesian Framework for Plasticity Model Selection

Interpretable Machine Learning (IML) has performed well when tasked with deriving constitutive material models. However, IML has been shown to prefer models that overfit noise in data, which tends to lead to bloat and a decrease in interpretability. Due to these issues, the ability of IML to reliably derive models that fit the data and are both interpretable and generalizable is limited. A method developed recently has shown promise to improve upon traditional IML by using a Bayesian fitness definition for the evolution of free-form models with non-deterministic parameters. This framework was developed for genetic-programming-based symbolic regression(GPSR) and involves model parameter estimation using Sequential Monte Carlo sampling (SMC).The method has demonstrated a reduction in bloat when dealing with noisy data in comparison to conventional GPSR. The results of this framework applied to stress-strain data for copper show models that more effectively predict the experimental data better than was previously shown with GPSR.

plasticity↗
NASA NTRS2002

Better Weather Prediction and Climate Diagnostics Using Rainfall Measurements from Space

Progress in understanding of the role of water in global weather and climate is currently limited by our knowledge of the spatial and temporal variability of primary hydrological fields such as precipitation and evaporation. The Tropical Rainfall Measuring Mission (TRMM) has recently demonstrated that use of microwave-based rainfall observations from space in data assimilation can provide better climate data sets and improve short-range weather forecasting. At NASA, we have been exploring non-traditional approaches to assimilating TRMM Microwave Imager (TMI) and Special Sensor Microwavehager (SSM/I) surface rain rate and latent heating profile information in global systems. In this talk we show that assimilating microwave rain rates using a continuous variational assimilation scheme based on moisture tendency corrections improves quantitative precipitation estimates (QPE) and related clouds, radiation energy fluxes, and large-scale circulations in the Goddard Earth Observing System (GEOS) reanalyses. Short-range forecasts initialized with these improved analyses also yield better QPE scores and storm track predictions for Hurricanes Bonnie and Floyd. We present a status report on current efforts to assimilate convective and stratiform latent heating profile information within the general variational framework of model parameter estimation to seek further improvements. Within the next 5 years, there will be a gradual increase in microwave rain products available from operational and research satellites, culminating to a target constellation of 9 satellites to provide global rain measurements every 3 hours with the proposed Global Precipitation Measurement (GPM) mission in 2007/2008. Based on what has been learned from TRMM, there is a high degree of confidence that these observations can play a'major role in improving weather forecasts and producing better global datasets for understanding the Earth's water and energy cycle. The key to success is to adopt an integrated approach to retrieval, validation, modeling, and data assimilation in a coordinated end-to-end observation-application program.

Hou, Arthur↗