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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Uncertainty Quantification of CFD Model Assumptions Against Sonic Boom Noise Prediction of a Commercial Supersonic Transport

This paper presents the results of uncertainty modeling of sonic boom noise generation from commercial supersonic transport considering the Spalart-Allmaras (SA) turbulence modeling parameters as well as Mach number, angle of attack and altitude. Sample generation and analysis for this uncertainty model was performed by UQPCE, which is a software package developed at the NASA Langley Research Center. To build the uncertainty model, 42 cases of sonic boom noise calculation were performed. Computation of the ground noise can be briefly summarized in two steps. First, the near field pressure waveforms are sampled from CFD calculation using the NASA Langley’s FUN3D solver. Second, this information is passed to an atmospheric propagation code, sBOOM, which solves an augmented Burger’s equation and simulates how the near field waveforms will change while passing through the atmosphere. The ground signature is further processed to obtain the perceived loudness, PLdB. Having a high spatial resolution near the shockwave in the CFD calculation is critical in sonic boom noise prediction. Because the variation in the input parameters for the current uncertainty quantification (UQ) study is likely to lead to change in shock location, angle and strength, the grid adaptation for shock capturing is independently applied for each condition. The final mesh used in the CFD calculation consists of approximately 420 million cells. The pressure signatures are sampled at three, four and five body lengths away from the aircraft to make sure the three dimensional effects around the aircraft are resolved. The results of the UQ analysis shows that within the three aleatory variables, the angle of attack had the most impact against ground noise, followed by the altitude and the Mach number. Between the two SA model parameters, the Kármán constant (𝜅) was significantly more important than the turbulent Prandtl number (𝜎), but these two parameters were only marginally significant in the overall prediction variance in ground noise. The UQ procedure explained in this paper can be widely applied to other model parameters.

Uncertainty Quantification↗
NASA NTRSDate not supplied

Uncertainty Quantification of CFD Model Assumptions Against Sonic Boom Noise Prediction of a Commercial Supersonic Transport

This paper presents the results of uncertainty modeling of sonic boom noise generation from commercial supersonic transport considering the Spalart-Allmaras (SA) turbulence modeling parameters as well as Mach number, angle of attack and altitude. Sample generation and analysis for this uncertainty model was performed by UQPCE, which is a software package developed at the NASA Langley Research Center. To build the uncertainty model, 42 cases of sonic boom noise calculation were performed. Computation of the ground noise can be briefly summarized in two steps. First, the near field pressure waveforms are sampled from CFD calculation using the NASA Langley’s FUN3D solver. Second, this information is passed to an atmospheric propagation code, sBOOM, which solves an augmented Burger’s equation and simulates how the near field waveforms will change while passing through the atmosphere. The ground signature is further processed to obtain the perceived loudness, PLdB. Having a high spatial resolution near the shock wave in the CFD calculation is critical in sonic boom noise prediction. Because the variation in the input parameters for the current uncertainty quantification (UQ) study is likely to lead to change in shock location, angle and strength, the grid adaptation for shock capturing is independently applied for each condition. The final mesh used in the CFD calculation consists of approximately 420 million cells. The pressure signatures are sampled at three, four and five body lengths away from the aircraft to make sure the three dimensional effects around the aircraft are resolved. The results of the UQ analysis shows that within the three aleatory variables, the angle of attack had the most impact against ground noise, followed by the altitude and the Mach number. Between the two SA model parameters, the Kármán constant (𝜅) was significantly more important than the turbulent Prandtl number (𝜎), but these two parameters were only marginally significant in the overall prediction variance in ground noise. The UQ procedure explained in this paper can be widely applied to other model parameters.

Uncertainty Quantifications↗
DOE OSTI2018

A protocol for an intercomparison of biodiversity and ecosystem services models using harmonized land-use and climate scenarios

Abstract. To support the assessments of the Intergovernmental Science-Policy Platform on Biodiversity and Ecosystem Services (IPBES), the IPBES Expert Group on Scenarios and Models is carrying out an intercomparison of biodiversity and ecosystem services models using harmonized scenarios (BES-SIM). The goals of BES-SIM are (1) to project the global impacts of land-use and climate change on biodiversity and ecosystem services (i.e., nature's contributions to people) over the coming decades, compared to the 20th century, using a set of common metrics at multiple scales, and (2) to identify model uncertainties and research gaps through the comparisons of projected biodiversity and ecosystem services across models. BES-SIM uses three scenarios combining specific Shared Socio-economic Pathways (SSPs) and Representative Concentration Pathways (RCPs) – SSP1xRCP2.6, SSP3xRCP6.0, SSP5xRCP8.6 – to explore a wide range of land-use change and climate change futures. This paper describes the rationale for scenario selection, the process of harmonizing input data for land use, based on the second phase of the Land Use Harmonization Project (LUH2), and climate, the biodiversity and ecosystem services models used, the core simulations carried out, the harmonization of the model output metrics, and the treatment of uncertainty. The results of this collaborative modeling project will support the ongoing global assessment of IPBES, strengthen ties between IPBES and the Intergovernmental Panel on Climate Change (IPCC) scenarios and modeling processes, advise the Convention on Biological Diversity (CBD) on its development of a post-2020 strategic plans and conservation goals, and inform the development of a new generation of nature-centred scenarios.

58 GEOSCIENCES↗
NASA NTRS2011

Uncertainty Analysis via Failure Domain Characterization: Polynomial Requirement Functions

This paper proposes an uncertainty analysis framework based on the characterization of the uncertain parameter space. This characterization enables the identification of worst-case uncertainty combinations and the approximation of the failure and safe domains with a high level of accuracy. Because these approximations are comprised of subsets of readily computable probability, they enable the calculation of arbitrarily tight upper and lower bounds to the failure probability. A Bernstein expansion approach is used to size hyper-rectangular subsets while a sum of squares programming approach is used to size quasi-ellipsoidal subsets. These methods are applicable to requirement functions whose functional dependency on the uncertainty is a known polynomial. Some of the most prominent features of the methodology are the substantial desensitization of the calculations from the uncertainty model assumed (i.e., the probability distribution describing the uncertainty) as well as the accommodation for changes in such a model with a practically insignificant amount of computational effort.

Crespo, Luis G.↗
NASA NTRS2014

Mars Entry Atmospheric Data System Modeling, Calibration, and Error Analysis

The Mars Science Laboratory (MSL) Entry, Descent, and Landing Instrumentation (MEDLI)/Mars Entry Atmospheric Data System (MEADS) project installed seven pressure ports through the MSL Phenolic Impregnated Carbon Ablator (PICA) heatshield to measure heatshield surface pressures during entry. These measured surface pressures are used to generate estimates of atmospheric quantities based on modeled surface pressure distributions. In particular, the quantities to be estimated from the MEADS pressure measurements include the dynamic pressure, angle of attack, and angle of sideslip. This report describes the calibration of the pressure transducers utilized to reconstruct the atmospheric data and associated uncertainty models, pressure modeling and uncertainty analysis, and system performance results. The results indicate that the MEADS pressure measurement system hardware meets the project requirements.

Karlgaard, Christopher D.↗
DOE OSTI2022

Confronting the water potential information gap

Water potential directly controls the function of leaves, roots and microbes, and gradients in water potential drive water flows throughout the soil–plant–atmosphere continuum. Notwithstanding its clear relevance for many ecosystem processes, soil water potential is rarely measured in situ, and plant water potential observations are generally discrete, sparse, and not yet aggregated into accessible databases. These gaps limit our conceptual understanding of biophysical responses to moisture stress and inject large uncertainty into hydrologic and land-surface models. Here, we outline the conceptual and predictive gains that could be made with more continuous and discoverable observations of water potential in soils and plants. We discuss improvements to sensor technologies that facilitate in situ characterization of water potential, as well as strategies for building new networks that aggregate water potential data across sites. Here, we end by highlighting novel opportunities for linking more representative site-level observations of water potential to remotely sensed proxies. Together, these considerations offer a road map for clearer links between ecohydrological processes and the water potential gradients that have the ‘potential’ to substantially reduce conceptual and modelling uncertainties.

58 GEOSCIENCES↗
DOE OSTI2023

Multifidelity Monte Carlo estimation for efficient uncertainty quantification in climate-related modeling

Abstract. Uncertainties in an output of interest that depends on the solution of a complex system (e.g., of partial differential equations with random inputs) are often, if not nearly ubiquitously, determined in practice using Monte Carlo (MC) estimation. While simple to implement, MC estimation fails to provide reliable information about statistical quantities (such as the expected value of the output of interest) in application settings such as climate modeling, for which obtaining a single realization of the output of interest is a costly endeavor. Specifically, the dilemma encountered is that many samples of the output of interest have to be collected in order to obtain an MC estimator that has sufficient accuracy – so many, in fact, that the available computational budget is not large enough to effect the number of samples needed. To circumvent this dilemma, we consider using multifidelity Monte Carlo (MFMC) estimation which leverages the use of less costly and less accurate surrogate models (such as coarser grids, reduced-order models, simplified physics, and/or interpolants) to achieve, for the same computational budget, higher accuracy compared to that obtained by an MC estimator – or, looking at it another way, an MFMC estimator obtains the same accuracy as the MC estimator at lower computational cost. The key to the efficacy of MFMC estimation is the fact that most of the required computational budget is loaded onto the less costly surrogate models so that very few samples are taken of the more expensive model of interest. We first provide a more detailed discussion about the need to consider an alternative to MC estimation for uncertainty quantification. Subsequently, we present a review, in an abstract setting, of the MFMC approach along with its application to three climate-related benchmark problems as a proof-of-concept exercise.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Active meta-learning for predicting and selecting perovskite crystallization experiments

Autonomous experimentation systems use algorithms and data from prior experiments to select and perform new experiments in order to meet a specified objective. In most experimental chemistry situations, there is a limited set of prior historical data available, and acquiring new data may be expensive and time consuming, which places constraints on machine learning methods. Active learning methods prioritize new experiment selection by using machine learning model uncertainty and predicted outcomes. Meta-learning methods attempt to construct models that can learn quickly with a limited set of data for a new task. Here in this paper, we applied the model-agnostic meta-learning (MAML) model and the Probabilistic LATent model for Incorporating Priors and Uncertainty in few-Shot learning (PLATIPUS) approach, which extends MAML to active learning, to the problem of halide perovskite growth by inverse temperature crystallization. Using a dataset of 1870 reactions conducted using 19 different organoammonium lead iodide systems, we determined the optimal strategies for incorporating historical data into active and meta-learning models to predict reaction compositions that result in crystals. We then evaluated the best three algorithms (PLATIPUS and active-learning k-nearest neighbor and decision tree algorithms) with four new chemical systems in experimental laboratory tests. With a fixed budget of 20 experiments, PLATIPUS makes superior predictions of reaction outcomes compared to other active-learning algorithms and a random baseline.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Performance Robustness of Manipulator Collision Controller

In this paper, we propose that the manipulator impact control problem be approached from a stochastic optimal control perspective. The reason is that not only is such approach be able to model uncertainties in contact environment, force sensing, as well as manipulator dynamics, the controllers obtained is optimally robust in terms of performance. This result is verified by analyses and simulations.

model uncertainties contact environment force sens↗
NASA NTRSDate not supplied

Probing Sensitivity of Discharge Characteristics to Model Selection using Uncertainty Quantification in an aprotic Li-Oxygen Battery

Currently, there are several models in the literature, such as kinetic models, microstructural models, and mass transport models that describe a Li-air battery's discharge behavior. Many of these models are calibrated and tested at low current densities and cannot be easily transferred to high current densities. Even at low current densities, there is no quantitative method for a researcher to choose a reaction kinetic model such as classical Butler-Volmer and its derivatives, and modified Marcus-Hush-Chidsey, a resistance model for lithium peroxide such as electron transport via tunneling or linear resistivity, a surface coverage model (lithium peroxide growth) such as partial coverage or full coverage, and mass transport model (discussed in Ref. [1]). Also, it is time-consuming to test different models at high current density (1C) due to a lack of well-tested models and well-calibrated model parameters. For this presentation, we will develop an analytical model, which acts as a surrogate model for a sophisticated finite element model to predict discharge time and discharge voltage. Next, we use an uncertainty quantifying technique called reduced-order stochastic optimization [2, 3] to determine the uncertainty in model parameters for rate kinetics, lithium peroxide resistivity, and parasitic resistance. Finally, a finite element simulation is performed to determine the error introduced by the surrogate model and its influence on the uncertainty in the model parameters.

M Mehta↗
DOE OSTI2016

Evaluating marginal likelihood with thermodynamic integration method and comparison with several other numerical methods

Evaluating marginal likelihood is the most critical and computationally expensive task, when conducting Bayesian model averaging to quantify parametric and model uncertainties. The evaluation is commonly done by using Laplace approximations to evaluate semianalytical expressions of the marginal likelihood or by using Monte Carlo (MC) methods to evaluate arithmetic or harmonic mean of a joint likelihood function. This study introduces a new MC method, i.e., thermodynamic integration, which has not been attempted in environmental modeling. Instead of using samples only from prior parameter space (as in arithmetic mean evaluation) or posterior parameter space (as in harmonic mean evaluation), the thermodynamic integration method uses samples generated gradually from the prior to posterior parameter space. This is done through a path sampling that conducts Markov chain Monte Carlo simulation with different power coefficient values applied to the joint likelihood function. The thermodynamic integration method is evaluated using three analytical functions by comparing the method with two variants of the Laplace approximation method and three MC methods, including the nested sampling method that is recently introduced into environmental modeling. The thermodynamic integration method outperforms the other methods in terms of their accuracy, convergence, and consistency. The thermodynamic integration method is also applied to a synthetic case of groundwater modeling with four alternative models. The application shows that model probabilities obtained using the thermodynamic integration method improves predictive performance of Bayesian model averaging. As a result, the thermodynamic integration method is mathematically rigorous, and its MC implementation is computationally general for a wide range of environmental problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Parameter inference with deep jointly informed neural networks

Abstract A common challenge in modeling inertial confinement fusion (ICF) experiments with computer simulations is that many of the simulation inputs are unknown and cannot be directly measured. Often, parameters that are measured in the experiment are used to infer the unknown inputs by solving the inverse problem: finding the set of simulation inputs that result in outputs consistent with the experimental observations. In ICF, this process is often referred to as a “post‐shot analysis.” Post‐shot analyses are challenging as the inverse problem is often highly degenerate, the input parameter space is vast, and simulations are computationally expensive. In this work, deep neural network models equipped with model uncertainty estimates are used to train inverse models, which map directly from output to input space, to find the distribution of post‐shot simulations that are consistent with experimental observations. The inverse model approach is compared to Markov chain Monte Carlo (MCMC) sampling of the forward model, which maps from input to output space, for parameter inference tasks of varying complexity. The inverse models perform best when searching vast parameter spaces for post‐shot simulations that are consistent with a large number of observables, where MCMC sampling can be prohibitively expensive. We demonstrate how augmenting inverse models with autoencoders enable the inclusion of several dozen observables in the inverse mapping, reducing the degeneracy of the model and improving the accuracy of the post‐shot analysis.

Humbird, Kelli D.↗
DOE OSTI2014

DELIVERY OF DUST GRAINS FROM COMET C/2013 A1 (SIDING SPRING) TO MARS

Comet C/2013 A1 (Siding Spring) will have a close encounter with Mars on 2014 October 19. We model the dynamical evolution of dust grains from the time of their ejection from the comet nucleus to the close encounter with Mars, and determine the flux at Mars. Constraints on the ejection velocity from Hubble Space Telescope observations indicate that the bulk of the grains will likely miss Mars, although it is possible that a few percent of the grains with higher velocities will reach Mars, peaking approximately 90-100 minutes after the close approach of the nucleus, and consisting mostly of millimeter-radius grains ejected from the comet nucleus at a heliocentric distance of approximately 9 AU or larger. At higher velocities, younger grains from submillimeter to several millimeters can also reach Mars, although an even smaller fraction of grains is expected have these velocities, with negligible effect on the peak timing. Using NEOWISE observations of the comet, we can estimate that the maximum fluence will be of the order of 10{sup –7} grains m{sup –2}. We include a detailed analysis of how the expected fluence depends on the grain density, ejection velocity, and size-frequency distribution, to account for current model uncertainties and in preparation of possible refined model values in the near future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Global Sensitivity Analysis of a Reactive Transport Model for Mineral Scale Formation During Hydraulic Fracturing

Injection of water-based hydraulic fracturing fluid (HFF) into tight shale gas/oil formations can increase formation permeability and enhance production rates, but this process frequently causes mineral scale formation that can occlude pore space and hinder flow. To identify the most important factors that control the formation of mineral scales, we applied a novel global sensitivity analysis method—distance-based generalized sensitivity analysis (DGSA)—to a reactive transport model (RTM) that was previously built and calibrated to simulate precipitation of barite [BaSO4] and iron (hydr)oxide [Fe(OH) 3 ] in shale matrices and on fracture surfaces. Reactive transport simulations were run with model parameters randomly sampled based on assigned uncertainties. Modeling results for barite and Fe(OH)3 formation were clustered using machine-learning algorithms. A list of ranked critical input parameters was obtained after statistical quantification of cumulative distribution functions of input parameters. We found that barite formation is most sensitive to the rate of sulfate ion generation, which is determined by the pyrite dissolution rate coefficient and oxidant availability. In addition, barite formation is sensitive to the initial amounts of barite in HFF and shale, followed by barite thermodynamics/kinetics. For Fe(OH) 3 formation, the ranked factors are Fe(OH)3 precipitation rate coefficients, initial HFF pH, initial Fe(OH) 3 amount in HFF, and oxidant availability. Overall, our results provide insights into managing mineral scale formation during hydraulic fracturing to enhance production. Meanwhile, this study serves as an example of global sensitivity analysis of RTMs using the efficient, straightforward, and open-source DGSA method.

58 GEOSCIENCES↗
DOE OSTI2024

A tutorial review of machine learning-based model predictive control methods

Abstract This tutorial review provides a comprehensive overview of machine learning (ML)-based model predictive control (MPC) methods, covering both theoretical and practical aspects. It provides a theoretical analysis of closed-loop stability based on the generalization error of ML models and addresses practical challenges such as data scarcity, data quality, the curse of dimensionality, model uncertainty, computational efficiency, and safety from both modeling and control perspectives. The application of these methods is demonstrated using a nonlinear chemical process example, with open-source code available on GitHub. The paper concludes with a discussion on future research directions in ML-based MPC.

Wu, Zhe [Department of Chemical and Biomolecular E↗
DOE OSTI2021

Overview of Algorithms for Using Particle Morphology in Pre-Detonation Nuclear Forensics

A major goal in pre-detonation nuclear forensics is to infer the processing conditions and/or facility type that produced radiological material. This review paper focuses on analyses of particle size, shape, texture (“morphology”) signatures that could provide information on the provenance of interdicted materials. For example, uranium ore concentrates (UOC or yellowcake) include ammonium diuranate (ADU), ammonium uranyl carbonate (AUC), sodium diuranate (SDU), magnesium diuranate (MDU), and others, each prepared using different salts to precipitate U from solution. Once precipitated, UOCs are often dried and calcined to remove adsorbed water. The products can be allowed to react further, forming uranium oxides UO3, U3O8, or UO2 powders, whose surface morphology can be indicative of precipitation and/or calcination conditions used in their production. This review paper describes statistical issues and approaches in using quantitative analyses of measurements such as particle size and shape to infer production conditions. Statistical topics include multivariate t tests (Hotelling’s T 2 ), design of experiments, and several machine learning (ML) options including decision trees, learning vector quantization neural networks, mixture discriminant analysis, and approximate Bayesian computation (ABC). ABC is emphasized as an attractive option to include the effects of model uncertainty in the selected and fitted forward model used for inferring processing conditions.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2016

Evaluating the Community Land Model in a pine stand with shading manipulations and 13 CO 2 labeling

Carbon partitioning and flow through ecosystems regulates land surface atmosphere CO 2 exchange and thus is a key, albeit uncertain component of mechanistic models. The Partitioning in Trees and Soil (PiTS) experiment-model project tracked C partitioning through a young Pinus taeda stand following pulse-labeling with 13 CO 2 and two levels of shading. The field component of this project provided process-oriented data that was used to evaluate and improve terrestrial biosphere model simulations of rapid shifts in carbon partitioning and hydrological dynamics under varying environmental conditions. Here we tested the performance of the Community Land Model version 4 (CLM4) in capturing short-term carbon and water dynamics in relation to manipulative shading treatments, and the timing and magnitude of carbon fluxes through various compartments of the ecosystem. To constrain CLM4 to closely simulate pretreatment conditions, we calibrated select model parameters with the pretreatment observational data. Compared to CLM4 simulations with default parameters, CLM4 with calibrated model parameters was better able to simulate pretreatment vegetation carbon pools, light response curves, and other initial states and fluxes of carbon and water. Over a 3-week treatment period, the calibrated CLM4 generally reproduced the impacts of shading on average soil moisture at 15-95 cm depth, transpiration, relative change in stem carbon, and soil CO 2 efflux rate, although some discrepancies in the estimation of magnitudes and temporal evolutions existed. CLM4, however, was not able to track the progression of the 13 CO 2 label from the atmosphere through foliage, phloem, roots or surface soil CO 2 efflux, even when optimized model parameters were used. This model bias arises, in part, from the lack of a short-term non-structural carbohydrate storage pool and progressive timing of within-plant transport, thus indicating a need for future work to improve the allocation routines in CLM4. Overall, these types of detailed evaluations of CLM4, paired with intensive field manipulations, can help to identify model strengths and weaknesses, model uncertainties, and additional observations necessary for future model development.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2015

Inconsistent Strategies to Spin up Models in CMIP5: Implications for Ocean Biogeochemical Model Performance Assessment

During the fifth phase of the Coupled Model Intercomparison Project (CMIP5) substantial efforts were made to systematically assess the skill of Earth system models. One goal was to check how realistically representative marine biogeochemical tracer distributions could be reproduced by models. In routine assessments model historical hindcasts were compared with available modern biogeochemical observations. However, these assessments considered neither how close modeled biogeochemical reservoirs were to equilibrium nor the sensitivity of model performance to initial conditions or to the spin-up protocols. Here, we explore how the large diversity in spin-up protocols used for marine biogeochemistry in CMIP5 Earth system models (ESMs) contributes to model-to-model differences in the simulated fields. We take advantage of a 500-year spin-up simulation of IPSL-CM5A-LR to quantify the influence of the spin-up protocol on model ability to reproduce relevant data fields. Amplification of biases in selected biogeochemical fields (O2, NO3, Alk-DIC) is assessed as a function of spin-up duration. We demonstrate that a relationship between spin-up duration and assessment metrics emerges from our model results and holds when confronted with a larger ensemble of CMIP5 models. This shows that drift has implications for performance assessment in addition to possibly aliasing estimates of climate change impact. Our study suggests that differences in spin-up protocols could explain a substantial part of model disparities, constituting a source of model-to- model uncertainty. This requires more attention in future model intercomparison exercises in order to provide quantitatively more correct ESM results on marine biogeochemistry and carbon cycle feedbacks.

histories↗