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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Probabilistic inference of reaction rate parameters from summary statistics

Here, this investigation tackles the probabilistic parameter estimation problem involving the Arrhenius parameters for the rate coefficient of the chain branching reaction H + O 2 → OH + O. This is achieved in a Bayesian inference framework that uses indirect data from the literature in the form of summary statistics by approximating the maximum entropy solution with the aid of approximate bayesian computation. The summary statistics include nominal values and uncertainty factors of the rate coefficient, obtained from shock-tube experiments performed at various initial temperatures. The Bayesian framework allows for the incorporation of uncertainty in the rate coefficient of a secondary reaction, namely OH + H 2 → H 2 O + H, resulting in a consistent joint probability density on Arrhenius parameters for the two rate coefficients. It also allows for uncertainty quantification in numerical ignition predictions while conforming with the published summary statistics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Goal-oriented optimal design of experiments for large-scale Bayesian linear inverse problems

We develop a framework for goal-oriented optimal design of experiments (GOODE) for large-scale Bayesian linear inverse problems governed by PDEs. This framework differs from classical Bayesian optimal design of experiments (ODE) in the following sense: we seek experimental designs that minimize the posterior uncertainty in the experiment end-goal, e.g. a quantity of interest (QoI), rather than the estimated parameter itself. This is suitable for scenarios in which the solution of an inverse problem is an intermediate step and the estimated parameter is then used to compute a QoI. In such problems, a GOODE approach has two benefits: the designs can avoid wastage of experimental resources by a targeted collection of data, and the resulting design criteria are computationally easier to evaluate due to the often low-dimensionality of the QoIs. We present two modified design criteria, A-GOODE and D-GOODE, which are natural analogues of classical Bayesian A- and D-optimal criteria. We analyze the connections to other ODE criteria, and provide interpretations for the GOODE criteria by using tools from information theory. Then, we develop an efficient gradient-based optimization framework for solving the GOODE optimization problems. Additionally, we present comprehensive numerical experiments testing the various aspects of the presented approach. The driving application is the optimal placement of sensors to identify the source of contaminants in a diffusion and transport problem. As a result, we enforce sparsity of the sensor placements using an L1-norm penalty approach, and propose a practical strategy for specifying the associated penalty parameter.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Inference of neutrino flavor evolution through data assimilation and neural differential equations

The evolution of neutrino flavor in dense environments such as core-collapse supernovae and binary compact object mergers constitutes an important and unsolved problem. Its solution has potential implications for the dynamics and heavy-element nucleosynthesis in these environments. In this paper, we build upon recent work to explore inference-based techniques for the estimation of model parameters and neutrino flavor evolution histories. Here, we combine data assimilation, ordinary differential equation solvers, and neural networks to craft an inference approach tailored for nonlinear dynamical systems. Using this architecture, and a simple two-neutrino-beam, two-flavor model, we compare the performances of nine different optimization algorithms and expand upon previous assessments of the efficacy of inference for tackling problems in flavor evolution. We find that employing this new architecture, together with evolutionary optimization algorithms, accurately captures flavor histories in the small-scale model and allows us to quickly explore both model parameters and initial flavor content. In future work we plan to extend these inference techniques to large numbers of neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Bayesian optimized collection strategies for fatigue strength testing

Abstract A statistical framework is presented enabling optimal sampling and analysis of constant life fatigue data. Protocols using Bayesian maximum entropy sampling are built based on conventional staircase and stress step methods, reducing the requirement of prior knowledge for data collection. The Bayesian Staircase method shows improved parameter estimation efficiency, and the Bayesian Stress Step method shows equal accuracy to the standard method at larger step size allowing experimentalists to lessen concerns of loading history. Statistical methods for determining model suitability are shown, highlighting the influence of protocol. Experimental validation is performed, showing the applicability of the methods in laboratory testing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

TRINIDI (Time-of-Flight Resonance Imaging with Neutrons for Isotopic Density Inference)

This software is an open-source Python library that provides tools for processing hyperspectral neutron time-of-flight radiography data. This type of data allows material decomposed reconstructions to be generated with the use of material characteristic spectral responses and the algorithms provided in this code library. The software library will contain tools for pre-processing the neutron measurement data, estimating measurement system parameters, reconstructing material decomposed radiographs, and computing material decomposed computed tomography (CT). Furthermore, it will have capability to generate and process simulated neutron time-of-flight data with the goal of benchmarking and demonstrating the tools that are provided. The software will include thorough documentation and application examples.

Balke, Thilo↗
DOE OSTI2018

Probabilistic Economic Valuation of Safety Margin Management

The goal of this project was to explore a new methodology for evaluation of potential safety margin upgrades to add a new instrument to the Risk Informed Safety Margin Characterization (RISMC) toolkit. To this end, the RAVEN code developed by the Idaho National Laboratory was used to perform a cost-benefit analysis of several potential power plant safety upgrades to compare the material cost of the upgrades with the probabilistic benefit of avoiding accident scenario consequences to find the most cost-effective safety upgrades. By coupling RAVEN to MELCOR to drive Monte-Carlo method stochastic parameter analysis and using data from existing nuclear codes, as well as MELCOR’s radionuclide relocation tracking capabilities, the radionuclide release source term activity in a severe accident scenario can be estimated. Severe Accident Mitigation upgrades were benchmarked against the Hardened Containment Ventilation upgrade mandated by the USNRC for Mk1 BWRs using dollars spent per Curie of release prevented as a metric by which to evaluate the economic efficacy of the upgrades. Additionally, Fault Tree/Event Tree-based analyses were performed to compare older methods of evaluation to the methodology pioneered in this work, and Monthly Operating Report (MORP) outage data was analyzed for insights into power plant outage optimization and reduction.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Investigation of Heterogeneity Effects on Calculated Sensitivities of the ZPPR-15B Assemblies

In past years, sensitivity studies of ZPR and ZPPR assemblies were carried out with deterministic codes for several purposes, such as uncertainty estimation of calculated parameter values, cross section adjustment, representativity analysis. etc. However, these sensitivity studies used simplified R-Z models of ZPR/ZPPR assemblies where the multi-group cross section data was obtained from the homogenized material compositions of each reactor zone. The main reason for this simplification was the lack of a deterministic path able to compute sensitivity coefficients for complicated 3D geometries in transport theory. Also, each ZPR and ZPPR assembly consists of several different drawers each containing different plate types and plate arrangements and it was felt that performing sensitivity calculations with an equivalent R-Z reactor model would capture most of the feedback while the heterogeneity effects were believed to be of second order. Recently a new code, BuildZPRModel, was developed at ANL that automatically generates the inputs for cross section processing and core calculation of heterogeneous ZPR and ZPPR assemblies for 3D transport calculations. Additionally, the PERSENT code (recently developed at ANL as well) is able to carry out sensitivity calculations in transport theory on 3D geometries. With the benefit of the newly developed codes, a sensitivity study was performed for the heterogeneous model of ZPPR-15B assemblies 96 and 102 generated by BuildZPRModel. The results were compared with the sensitivities computed with the use of fully homogenized R-Z reactor models, in order to quantify the impact of heterogeneity effects neglected in the analysis performed in past years.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

The National Climate Data Base (NCDB): A Bias-Corrected High-Resolution Climate Dataset

Assessing renewable energy resources under future climate scenarios has been highlighted in recent years to analyze and understand potential impacts of future change in renewable generation on the power sector. Solar energy is well-known as the most plentiful among various renewable resources and usually converted to electricity using photovoltaics (PV) technologies, and the global deployment of PV technology has increased rapidly in recent decades. In this study, we develop a statistical technique to downscale the future projection of solar irradiance for PV energy-related applications. A set of Regional Climate Model (RCM)-based projections obtained from the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX) are used as inputs to statistical methods to generate high-resolution global horizontal irradiance (GHI) over the contiguous United States (CONUS). The main steps of the statistical downscaling method include (1) regridding RCM output (0.22 degree and daily resolutions) to handle the modeled-observed data sets on a common grid, (2) correcting bias of RCM GHI using satellite-derived observation, and (3) implementing temporal and spatial downscaling to generate GHI at 8-km and hourly resolution. Basically, complex physical processes and interactions between solar radiation and various atmospheric constituents lead solar irradiance to be highly variable and uncertain. Underrepresentation of clouds from the RCM parameterizations is the main source of error and uncertainty in modeling solar irradiance. Thus, we adapt and use the high-quality satellite-derived data from the National Solar Radiation Database (NSRDB) to analyze the bias and error of RCM GHI as well as estimate the statistical parameters for spatial and temporal downscaling. This presentation will summarize the comprehensive analysis conducted to produce and assess the results under two climate scenarios (RCP4.5 and RCP8.5). We will also present a detailed validation demonstrating the strengths of the proposed downscaling method and future extension of this research.

climate data↗
DOE OSTI2024

The National Climate Database (NCDB): An Unbiased 100-Year Dataset for PV Modeling

In this study, we develop a statistical technique to downscale the future projection of solar irradiance for photovoltaics (PV) energy-related applications. A set of Regional Climate Model (RCM)-based projections obtained from the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX) are used as inputs to statistical methods to generate high-resolution global horizontal irradiance (GHI) over the contiguous United States (CONUS). The main steps of the statistical downscaling method include (1) regridding RCM output (0.22 degree and daily resolutions) to handle the modeled-observed data sets on a common grid, (2) correcting bias of RCM GHI using satellite-derived observation, and (3) implementing temporal and spatial downscaling to generate GHI at 8-km and hourly resolution. Basically, complex physical processes and interactions between solar radiation and various atmospheric constituents lead solar irradiance to be highly variable and uncertain. Underrepresentation of clouds from the RCM parameterizations is the main source of error and uncertainty in modeling solar irradiance. Thus, we adapt and use the high-quality satellite-derived data from the National Solar Radiation Database (NSRDB) to analyze the bias and error of RCM GHI as well as estimate the statistical parameters for spatial and temporal downscaling. This presentation will summarize the comprehensive analysis conducted to produce and assess the results under two climate scenarios (RCP4.5 and RCP8.5). We will also present a detailed validation demonstrating the strengths of the downscaling method, a summary of the 100-year dataset from 2001-2100, and future extension of this research.

bias correction↗
DOE OSTI2026

Compact representation and long-time extrapolation of real-time data for quantum systems using the ESPRIT algorithm

Representing real-time data as a sum of complex exponentials provides a compact form that enables both denoising and extrapolation. As a fully data-driven method, the Estimation of Signal Parameters via Rotational Invariance Techniques (ESPRIT) algorithm is agnostic to the underlying physical equations, making it broadly applicable to various observables and experimental or numerical setups. In this work, we consider applications of the ESPRIT algorithm primarily to extend real-time dynamical data from simulations of quantum systems. We evaluate ESPRIT's performance in the presence of noise and compare it to other extrapolation methods. We demonstrate its ability to extract information from short-time dynamics to reliably predict long-time behavior and determine the minimum time interval required for accurate results. We discuss how this insight can be leveraged in numerical methods that propagate quantum systems in time, and we show how ESPRIT can predict infinite-time values of dynamical observables, offering a purely data-driven approach to characterizing quantum phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A Semi-Empirical Density Law for Ternary, Homogeneous PuCl 3 /HCl/H 2 O Solutions

Nuclear material operations pose unique hazards that are not encountered in other chemical, energy, or manufacturing industries. One of these hazards is the potential for a nuclear criticality accident when handling fissile isotopes such as 235 U and 239 Pu. These hazards are particularly high when fissile material is dissolved in solution as the neutron behaviors of the system can change rapidly with the physical and chemical changes accessible in solution. Current estimates of solution density used for criticality safety are outdated and hinder fissile material handling. Developing new estimates for these safety calculations requires experimental characterization and the derivation of empirical density models. We have derived a density law describing PuCl 3 /HCl/H 2 O solutions from experimental data characterizing solution density. Density data was treated using a Pitzer-derived eight-parameter equation, defining density as a function of analyte concentrations, temperature, and interactions between these variables. The model is predictive across the concentration and temperature ranges from which it was derived. The potential effects of varying oxidation states of plutonium, which are easily accessible in aqueous media, on the bulk solution density of the ternary system were also investigated. The resulting Pitzer-derived density law was applied to a nuclear criticality safety model, and the impact of the experimental characterization of solution density relative to previous estimates was demonstrated to be significant and suggest that the current approach to estimating density in nuclear criticality safety calculations may lead to overly conservative controls.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Model-Data for Joint Estimation of Biogeochemical Model Parameters from Multiple Experiments: A Bayesian Approach Applied to Mercury Methylation

This modeling archive supports the manuscript submitted for publication in the Environmental Modeling and Software. This study is supported by ORNL-SFA and IDEAS-Watershed. This study aims to improve calibration of complex biogeochemical models using datasets from multiple experiments targeting specific subprocesses. The proposed Bayesian joint-fitting scheme calibrates the entire biogeochemical model in one go using all the available datasets and estimate parameter uncertainties using Markov Chain Monte Carlo (MCMC). This allows for complete propagation of uncertainties and utilization of the information shared between different datasets. Mapping joint distribution of parameters guides model improvement by identifying null spaces in the parameter space. This archive contains files used to perform MCMC, post-process outputs and visualize results.

East Fork Poplar Creek↗
DOE OSTI2024

Identifying recharge sources and their impacts on a North Central New Mexico shallow aquifer using unsupervised machine learning

In this article, shallow aquifers are important but highly variable resources in arid to semi-arid regions. Limited shallow aquifer volume results in high sensitivity to recharge fluctuations, which can impact the local fauna and flora, and transport of contaminants in the aquifer or vadose zone. Aquifer response to external forcing (e.g., precipitation) is usually solved by estimating aquifer parameters and running physics-based models to match known fluctuations of hydraulic head. However, this technique is time and computationally expensive. Furthermore, high aquifer complexity decreases precision in physics-based models. Alternatively supervised machine learning is used to predict aquifer dynamics. However, these techniques rely on input data and struggle to interpret aquifer response for missing sources (i.e., snowpack data). To counter these problems, we propose an unsupervised machine learning technique (NMFk) to estimate the impact of different sources on aquifer recharge. NMFk is used to understand the influence of external forcing on shallow aquifer recharge in the Pajarito Plateau (Los Alamos, NM, USA). The results show how NMFk can be used to reduce the data dimension in a complex field dataset to three recharge signals that cause fluctuations within the field data. Here, the source signals are interpreted as rainfall, snowmelt, and a delayed aquifer response to the previous two signals. These results evidence how heterogeneous aquifers delimited by canyons incised into the Pajarito Plateau respond in similar ways to the source signals identified by NMFk. Furthermore, results show the importance of the local geology where faults act as sinks, and anthropogenic disturbances can facilitate infiltration amplifying the interpreted signal.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

ESTIMATION OF DISTANCES TO STARS WITH STELLAR PARAMETERS FROM LAMOST

We present a method to estimate distances to stars with spectroscopically derived stellar parameters. The technique is a Bayesian approach with likelihood estimated via comparison of measured parameters to a grid of stellar isochrones, and returns a posterior probability density function for each star’s absolute magnitude. This technique is tailored specifically to data from the Large Sky Area Multi-object Fiber Spectroscopic Telescope (LAMOST) survey. Because LAMOST obtains roughly 3000 stellar spectra simultaneously within each ∼5° diameter “plate” that is observed, we can use the stellar parameters of the observed stars to account for the stellar luminosity function and target selection effects. This removes biasing assumptions about the underlying populations, both due to predictions of the luminosity function from stellar evolution modeling, and from Galactic models of stellar populations along each line of sight. Using calibration data of stars with known distances and stellar parameters, we show that our method recovers distances for most stars within ∼20%, but with some systematic overestimation of distances to halo giants. We apply our code to the LAMOST database, and show that the current precision of LAMOST stellar parameters permits measurements of distances with ∼40% error bars. This precision should improve as the LAMOST data pipelines continue to be refined.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Cosmological lensing ratios with DES Y1, SPT, and Planck

Correlations between tracers of the matter density field and gravitational lensing are sensitive to the evolution of the matter power spectrum and the expansion rate across cosmic time. Appropriately defined ratios of such correlation functions, on the other hand, depend only on the angular diameter distances to the tracer objects and to the gravitational lensing source planes. Because of their simple cosmological dependence, such ratios can exploit available signal-to-noise ratio down to small angular scales, even where directly modelling the correlation functions is difficult. We present a measurement of lensing ratios using galaxy position and lensing data from the Dark Energy Survey, and CMB lensing data from the South Pole Telescope and Planck, obtaining the highest precision lensing ratio measurements to date. Relative to the concordance ΛCDM model, we find a best-fitting lensing ratio amplitude of A = 1.1 ± 0.1. We use the ratio measurements to generate cosmological constraints, focusing on the curvature parameter. We demonstrate that photometrically selected galaxies can be used to measure lensing ratios, and argue that future lensing ratio measurements with data from a combination of LSST and Stage-4 CMB experiments can be used to place interesting cosmological constraints, even after considering the systematic uncertainties associated with photometric redshift and galaxy shear estimation.

cosmological parameters↗
DOE OSTI2015

A cosmological exclusion plot: towards model-independent constraints on modified gravity from current and future growth rate data

Most cosmological constraints on modified gravity are obtained assuming that the cosmic evolution was standard ΛCDM in the past and that the present matter density and power spectrum normalization are the same as in a ΛCDM model. Here we examine how the constraints change when these assumptions are lifted. We focus in particular on the parameter Y (also called G{sub eff}) that quantifies the deviation from the Poisson equation. This parameter can be estimated by comparing with the model-independent growth rate quantity fσ{sub 8}(z) obtained through redshift distortions. We reduce the model dependency in evaluating Y by marginalizing over σ{sub 8} and over the initial conditions, and by absorbing the degenerate parameter Ω{sub m,0} into Y. We use all currently available values of fσ{sub 8}(z). We find that the combination Y-circumflex =YΩ{sub m,0}, assumed constant in the observed redshift range, can be constrained only very weakly by current data, Y-circumflex =0.28{sub −0.23}{sup +0.35} at 68% c.l. We also forecast the precision of a future estimation of Y-circumflex in a Euclid-like redshift survey. We find that the future constraints will reduce substantially the uncertainty, Y-circumflex =0.30{sub −0.09}{sup +0.08} , at 68% c.l., but the relative error on Y-circumflex around the fiducial remains quite high, of the order of 30%. The main reason for these weak constraints is that Y-circumflex is strongly degenerate with the initial conditions, so that large or small values of Y-circumflex are compensated by choosing non-standard initial values of the derivative of the matter density contrast. Finally, we produce a forecast of a cosmological exclusion plot on the Yukawa strength and range parameters, which complements similar plots on laboratory scales but explores scales and epochs reachable only with large-scale galaxy surveys. We find that future data can constrain the Yukawa strength to within 3% of the Newtonian one if the range is around a few Megaparsecs. In the particular case of f(R) models, we find that the Yukawa range will be constrained to be larger than 80 Mpc/h or smaller than 2 Mpc/h (95% c.l.), regardless of the specific f(R) model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

DREISS: Using State-Space Models to Infer the Dynamics of Gene Expression Driven by External and Internal Regulatory Networks

Gene expression is controlled by the combinatorial effects of regulatory factors from different biological subsystems such as general transcription factors (TFs), cellular growth factors and microRNAs. A subsystem’s gene expression may be controlled by its internal regulatory factors, exclusively, or by external subsystems, or by both. It is thus useful to distinguish the degree to which a subsystem is regulated internally or externally–e.g., how non-conserved, species-specific TFs affect the expression of conserved, cross-species genes during evolution. We developed a computational method (DREISS, dreiss.gerteinlab.org) for analyzing the Dynamics of gene expression driven by Regulatory networks, both External and Internal based on State Space models. Given a subsystem, the “state” and “control” in the model refer to its own (internal) and another subsystem’s (external) gene expression levels. The state at a given time is determined by the state and control at a previous time. Because typical time-series data do not have enough samples to fully estimate the model’s parameters, DREISS uses dimensionality reduction, and identifies canonical temporal expression trajectories (e.g., degradation, growth and oscillation) representing the regulatory effects emanating from various subsystems. To demonstrate capabilities of DREISS, we study the regulatory effects of evolutionarily conserved vs. divergent TFs across distant species. In particular, we applied DREISS to the time-series gene expression datasets of C. elegans and D. melanogaster during their embryonic development. We analyzed the expression dynamics of the conserved, orthologous genes (orthologs), seeing the degree to which these can be accounted for by orthologous (internal) versus species-specific (external) TFs. We found that between two species, the orthologs have matched, internally driven expression patterns but very different externally driven ones. This is particularly true for genes with evolutionarily ancient functions (e.g. the ribosomal proteins), in contrast to those with more recently evolved functions (e.g., cell-cell communication). This suggests that despite striking morphological differences, some fundamental embryonic-developmental processes are still controlled by ancient regulatory systems.

Biochemistry & Molecular Biology↗
DOE OSTI2021

On the estimation of boundary layer heights: a machine learning approach

Abstract. The planetary boundary layer height (zi) is a key parameter used in atmospheric models for estimating the exchange of heat, momentum, and moisture between the surface and the free troposphere. Near-surface atmospheric and subsurface properties (such as soil temperature, relative humidity, etc.) are known to have an impact on zi. Nevertheless, precise relationships between these surface properties and zi are less well known and not easily discernible from the multi-year dataset. Machine learning approaches, such as random forest (RF), which use a multi-regression framework, help to decipher some of the physical processes linking surface-based characteristics to zi. In this study, a 4-year dataset from 2016 to 2019 at the Southern Great Plains site is used to develop and test a machine learning framework for estimating zi. Parameters derived from Doppler lidars are used in combination with over 20 different surface meteorological measurements as inputs to a RF model. The model is trained using radiosonde-derived zi values spanning the period from 2016 through 2018 and then evaluated using data from 2019. Results from 2019 showed significantly better agreement with the radiosonde compared to estimates derived from a thresholding technique using Doppler lidars only. Noteworthy improvements in daytime zi estimates were observed using the RF model, with a 50 % improvement in mean absolute error and an R2 of greater than 85 % compared to the Tucker method zi. We also explore the effect of zi uncertainty on convective velocity scaling and present preliminary comparisons between the RF model and zi estimates derived from atmospheric models.

54 ENVIRONMENTAL SCIENCES↗