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

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

TU-AB-202-03: Prediction of PET Transfer Uncertainty by DIR Error Estimating Software, AUTODIRECT

Purpose: Deformable image registration (DIR) is a powerful tool, but DIR errors can adversely affect its clinical applications. To estimate voxel-specific DIR uncertainty, a software tool, called AUTODIRECT (automated DIR evaluation of confidence tool), has been developed and validated. This work tests the ability of this software to predict uncertainty for the transfer of standard uptake values (SUV) from positron-emission tomography (PET) with DIR. Methods: Virtual phantoms are used for this study. Each phantom has a planning computed tomography (CT) image and a diagnostic PET-CT image set. A deformation was digitally applied to the diagnostic CT to create the planning CT image and establish a known deformation between the images. One lung and three rectum patient datasets were employed to create the virtual phantoms. Both of these sites have difficult deformation scenarios associated with them, which can affect DIR accuracy (lung tissue sliding and changes in rectal filling). The virtual phantoms were created to simulate these scenarios by introducing discontinuities in the deformation field at the lung rectum border. The DIR algorithm from Plastimatch software was applied to these phantoms. The SUV mapping errors from the DIR were then compared to that predicted by AUTODIRECT. Results: The SUV error distributions closely followed the AUTODIRECT predicted error distribution for the 4 test cases. The minimum and maximum PET SUVs were produced from AUTODIRECT at 95% confidence interval before applying gradient-based SUV segmentation for each of these volumes. Notably, 93.5% of the target volume warped by the true deformation was included within the AUTODIRECT-predicted maximum SUV volume after the segmentation, while 78.9% of the target volume was within the target volume warped by Plastimatch. Conclusion: The AUTODIRECT framework is able to predict PET transfer uncertainty caused by DIR, which enables an understanding of the associated target volume uncertainty.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

EPRI Software for Estimating Decommissioning Waste Volumes - 16046

EPRI has adapted computer software that can estimate the volume and activity content of waste resulting from the dismantlement of nuclear facilities. This software, designated as Automatic Estimation of the Radiological Inventory or AERI, was originally developed by Iberdrola for use by ENRESA in Spain. The software estimates the radiological inventory for all the components and civil structures of the plant or other facility that are included in the physical inventory. The radiological inventory shows the internal and external surface contamination, as well as the volumetric contamination. The processes of the software are able to estimate both the specific activity levels (in Bq/g or pCi/g) for each radionuclide and the surface activity (Bq/cm{sup 2} or dpm/100 cm{sup 2}) for components and civil structures located in the radiological areas. AERI allows the user to extrapolate, through a statistical approach, the contamination levels obtained by sampling data in specific components and civil structures to the entire facility. The main benefits and values obtained with AERI are the following: - The radiological inventory of the plant can be obtained from a limited set of radiological sampling data. Using the mathematical models allows for the optimization of the number of sampling and analysis that needs to be done. The uncertainties of the calculations are reduced with more data. The user must balance the level of uncertainty of the calculations and the number of sample data they will use. - The automatic management of radiological data in short computing times allows for the execution of several scenarios in a reasonable time. Therefore, different radioactive waste and decommissioning hypotheses can be tested. For example, inventory and data can be split into two different set. One of them can be used for obtaining radiological inventory for early dismantling (3 years, as example) and the second one for deferred dismantling (25 years.) - The software supports the planning and implementation of decommissioning strategies for nuclear plants. For instance, several decontamination factors can be evaluated, assuming different level for decontamination of materials, and results for materials from several streams and use of different container types may be included in each evaluation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Evaluation and Suitability of Using SERI QC Software for Estimating Measurement Uncertainty

SERI QC is a robust solar data quality assessment software tool that has been in continuous use for more than three decades. This report (the first of six in the Data Quality and Uncertainty Integration project) reviews and evaluates the software to determine its suitability for determining the estimated expanded measurement uncertainty of solar measurement data by including operational factors. Using redundancy incorporated in three-component (global, direct, diffuse) solar measurements, SERI QC can quantify the standard uncertainty estimates for estimating uncertainty. With minor modifications, SERI QC will provide an operational uncertainty to be used in conjunction with the National Renewable Energy Laboratory method for instrument uncertainty to provide an integrated estimate of solar measurement data sets. These modifications will capitalize on SERI QC's evaluation of data quality, including data input validation and a variety of built-in solar routines, and will further develop the utility of the software.

14 SOLAR ENERGY↗
DOE OSTI2020

srlife

Solar receiver structural life estimation tool. This software estimates the life of a tubular concentrating solar power receiver given user input describing the working fluid pressures and temperatures. sf-20-068

Messner, Mark↗
DOE OSTI2022

Python Group Additivity (pGrAdd) software for estimating species thermochemical properties

ncreasingly complex chemistry models require thermochemical data for many species often estimated from costly first-principles DFT computations. Here we introduce the Python Group Additivity software (pGrAdd) that implements comprehensive group additivity in a simple, modular, lightweight Python package that is extensible and easy to implement. It includes 6 group additivity databases for gas species and Pt(111) adsorbates allowing users to immediately compute thermochemical properties for a wide range of molecules and build new databases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Multi-Tiered Estimation for Correlation Spectroscopy in 3D (MTECS3D) v0.1

This innovative software estimates rotational diffusion coefficients of particles from X-ray photon correlation spectroscopy (XPCS) data of monodispersed particle systems. It is the first method capable of extracting rotational diffusion information from three-dimensional particle systems using XPCS. Using the angular-temporal cross-correlation of the XPCS images, this software is able to estimate the rotational diffusion coefficients with only a few percent relative errors while requiring minimal prior knowledge of particle structures. This software enhances XPCS analysis capabilities, allowing researchers to study translational and rotational Brownian dynamics of particles in suspension across various temporal and spatial scales.

Hu, Zixi↗
DOE OSTI2021

Robust Distributed State Estimator for Interconnected Transmission and Distribution Networks (Final Report RPPR-1)

This project’s objective is to develop a combined transmission and distribution state estimator which accounts for very large system size and model complexity (by way of distributing the computations) and large number of solar PV units connected to the distribution system on multiple feeders. The project not only provides a robust formulation and solution to this problem but also tests the solution by implementing it on a well-established large utility system. It introduces several improvements with respect to the state of the art in existing state estimation software: (a) The developed state estimator (SE) allows robust and accurate monitoring of bidirectional flows in distribution systems which result due to the distributed energy sources which are not observable and thus not incorporated in generation dispatch; (b) Large utility systems with tens of thousands of transmission buses and hundreds of thousands of distribution nodes are difficult to model as a single integrated system. This shortcoming is addressed by developing a “scalable distributed computational framework” which allows splitting the ultra large system models into several small subsystems and coordinating their solution by a robust and practical state estimation formulation; (c) Measurement errors irrespective of their locations are detected and removed by the developed state estimator. Historically, transmission and distribution systems were analyzed and operated as two independent systems. Given the non-transposed short feeder sections, unevenly loaded phases, strictly radial configuration and unidirectional power flows in the absence of remote generation, distribution system analysis was customized to account for these characteristics. However, some of these assumptions are no longer valid (non-radial configuration, bidirectional power flows) and thus distribution system analysis should be revisited. Furthermore, in the past, the interaction between the transmission and distribution systems was quite passive, where distribution substations were modeled as lumped loads in the transmission system model. With substantial generation injected by renewable generation located in the distribution systems, such modeling will no longer be accurate. The developed state estimator facilitates proper monitoring of the interactions between the transmission and distribution systems and enables smart dispatch of these units which are made observable by the state estimator.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Maximum Switching Throughput Density Estimator

SAND2024-11125O The Maximum Switching Throughput Density Estimator software performs a simple analysis that estimates the maximum logic switching throughput density that’s achieved in various CMOS technology nodes on the International Roadmap for Devices and Systems. This software utilizes simple device models and optimization techniques, performing a simple sweep over a range of possible logic supply voltages, and analytically calculating the maximum switching frequency for the given logic voltage that meets the power density constraint. It does this by using simple models of power dissipation in conventional and fully adiabatic switching. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Frank, Michael↗
DOE OSTI2016

A Statistical Testing Approach for Quantifying Software Reliability; Application to an Example System

The U.S. Nuclear Regulatory Commission (NRC) encourages the use of probabilistic risk assessment (PRA) technology in all regulatory matters, to the extent supported by the state-of-the-art in PRA methods and data. Although much has been accomplished in the area of risk-informed regulation, risk assessment for digital systems has not been fully developed. The NRC established a plan for research on digital systems to identify and develop methods, analytical tools, and regulatory guidance for (1) including models of digital systems in the PRA's of nuclear power plants (NPPs), and, (2) incorporating digital systems in the NRC's risk-informed licensing and oversight activities. Under NRC's sponsorship, Brookhaven National Laboratory (BNL) explored approaches for addressing the failures of digital instrumentation and control (I and C) systems in the current NPP PRA framework. Specific areas investigated included PRA modeling digital hardware , development of a philosophical basis for defining software failure , and identification of desirable attributes of quantitative software reliability methods . Based on the earlier research, statistical testing is considered a promising method for quantifying software reliability. It is widely recognized that software failures are due to the triggering of pre-existing defects by the software's operational environment. Software defects can arise from errors made in user requirements or coding errors introduced during the developmental process. The software's operational environment includes factors such as the time history of digital system inputs, communication interfaces, the internal state of the digital system, and external conditions. Thus, software reliability is a function of both the number of pre-existing defects and the presence of a triggering condition caused by the manner in which the software is used. In this paper, we describe a statistical software-testing approach for quantifying software reliability and applied it to the loop-operating control system (LOCS) of an experimental loop of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). The work involved collaboration between BNL and INL. The objectives of the study include: (1) Development of a statistical testing approach for estimating software failure probability on demand, the results of which are suitable for including in a probabilistic risk assessment (PRA); and, (2) Application of the approach to the LOCS to estimate its failure probability, and obtain insights into the feasibility, practicality, and usefulness of the estimation in models of digital systems for inclusion in nuclear power plants' PRAs. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

An Application of a Modified Beta Factor Method for the Analysis of Software Common Cause Failures

This paper presents an approach for modeling software common cause failures (CCFs) within digital instrumentation and control (I&C) systems. CCFs consist of a concurrent failure between two or more components due to a shared failure cause and coupling mechanism. This work emphasizes the importance of identifying software-centric attributes related to the coupling mechanisms necessary for simultaneous failures of redundant software components. The groups of components that share coupling mechanisms are called common cause component groups (CCCGs). Most CCF models rely on operational data as the basis for establishing CCCG parameters and predicting CCFs. This work is motivated by two primary concerns: (1) a lack of operational and CCF data for estimating software CCF model parameters; and (2) the need to model single components as part of multiple CCCGs simultaneously. A hybrid approach was developed to account for these concerns by leveraging existing techniques: a modified beta factor model allows single components to be placed within multiple CCCGs, while a second technique provides software-specific model parameters for each CCCG. This hybrid approach provides a means to overcome the limitations of conventional methods while offering support for design decisions under the limited data scenario.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

PyOECP: A flexible open-source software library for estimating and modeling the complex permittivity based on the open-ended coaxial probe (OECP) technique

Here, we present PyOECP, a Python-based flexible open-source software for estimating and modeling the complex permittivity obtained from the open-ended coaxial probe (OECP) technique. The transformation of the measured reflection coefficient to complex permittivity is performed based on three different methods. The software library contains the dielectric spectra of common reference liquids, which can be used to transform the reflection coefficient into the dielectric spectra. Several Python routines that are commonly employed (e.g., SciPy and NumPy) in the field of science and engineering are required only so that the users can alter the software structure depending on their needs. The modeling algorithm exploits the Markov Chain Monte Carlo method for the data regression. The discrete relaxation models can be built by a proper combination of well-known relaxation models. In addition to these models, electrode polarization, a typical measurement artifact for interpreting dielectric spectra, can be incorporated into the modeling algorithm. A continuous relaxation model, which solves the Fredholm integral equation of the first kind (a mathematically ill-posed problem), is also included. This open-source software enables users to freely adjust the physical parameters to obtain physical insight into their materials under test and will be consistently updated for more accurate measurement and interpretation of dielectric spectra in an automated manner. This work describes the theoretical and mathematical background of the software, lays out the workflow, and validates the software functionality based on both synthetic and empirical data included in the software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

An algorithmic calibration approach to identify globally optimal parameters for constraining the DayCent model

he accurate calibration of complex biogeochemical models is essential for the robust estimation of soil greenhouse gases (GHG) as well as other environmental conditions and parameters that are used in research and policy decisions. DayCent is a popular biogeochemical model used both nationally and internationally for this purpose. Despite DayCent’s popularity, its complex parameter estimation is often based on experts’ knowledge which is somewhat subjective. In this study we used the inverse modelling parameter estimation software (PEST), to calibrate the DayCent model based on sensitivity and identifi- ability analysis. Using previously published N2 O and crop yield data as a basis of our calibration approach, we found that half of the 140 parameters used in this study were the primary drivers of calibration dif- ferences (i.e. the most sensitive) and the remaining parameters could not be identified given the data set and parameter ranges we used in this study. The post calibration results showed improvement over the pre-calibration parameter set based on, a decrease in residual differences 79% for N2O fluxes and 84% for crop yield, and an increase in coefficient of determination 63% for N2O fluxes and 72% for corn yield. The results of our study suggest that future studies need to better characterize germination tem- perature, number of degree-days and temperature dependency of plant growth; these processes were highly sensitive and could not be adequately constrained by the data used in our study. Furthermore, the sensitivity and identifiability analysis was helpful in providing deeper insight for important processes and associated parameters that can lead to further improvement in calibration of DayCent model.

Corn yield↗
DOE OSTI2014

Basic parameter estimation of binary neutron star systems by the advanced LIGO/Vigro network

Within the next five years, it is expected that the Advanced LIGO/Virgo network will have reached a sensitivity sufficient to enable the routine detection of gravitational waves. Beyond the initial detection, the scientific promise of these instruments relies on the effectiveness of our physical parameter estimation capabilities. A major part of this effort has been toward the detection and characterization of gravitational waves from compact binary coalescence, e.g., the coalescence of binary neutron stars. While several previous studies have investigated the accuracy of parameter estimation with advanced detectors, the majority have relied on approximation techniques such as the Fisher Matrix which are insensitive to the non-Gaussian nature of the gravitational wave posterior distribution function. Here we report average statistical uncertainties that will be achievable for strong detection candidates (S/N = 20) over a comprehensive sample of source parameters. We use the Markov Chain Monte Carlo based parameter estimation software developed by the LIGO/Virgo Collaboration with the goal of updating the previously quoted Fisher Matrix bounds. We find the recovery of the individual masses to be fractionally within 9% (15%) at the 68% (95%) credible intervals for equal-mass systems, and within 1.9% (3.7%) for unequal-mass systems. We also find that the Advanced LIGO/Virgo network will constrain the locations of binary neutron star mergers to a median uncertainty of 5.1 deg{sup 2} (13.5 deg{sup 2}) on the sky. This region is improved to 2.3 deg{sup 2} (6 deg{sup 2}) with the addition of the proposed LIGO India detector to the network. We also report the average uncertainties on the luminosity distances and orbital inclinations of strong detections that can be achieved by different network configurations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

DT-HYDRO

The software solves the time dependent, one dimensional (1D) coupled mass and momentum balance equations governing the elastic flow of water through the penstock, turbine and draft tube in a hydroelectric facility using a high order finite volume based method. The numerical method is based on the Kurganov-Tadmor central method paired with the Monotonic Upstream-centered Scheme for Conservation Laws (MUSCL). This solution method accurately resolves the fast transient behavior of the flow, including water hammer. Additionally, the software estimates the full 3D flow field within the turbine chamber in real time, a feat that is made possible by leveraging pre-computed CFD results by utilizing a reduced order modeling method based on an efficient randomized singular value decomposition (SVD) driven proper orthogonal decomposition (POD) with POD-mode weight regression. The reduced order model of the 3D flow is directly coupled to the 1D elastic flow model so the entire flow field through the penstock and turbine system is resolved quickly and with high fidelity.

Gurecky, William [Oak Ridge National Laboratory (O↗
DOE OSTI2017

Data Informed Vehicle Trip Energy Estimation [SWR-17-30]

There is a need to accurately estimate trip energy consumption for vehicle trips where high resolution GPS data is not available, or where the trips are simply proposed and have not been driven. This need is most apparent in green routing algorithms, it is critical to accurately estimate the energy consumption for a route that has not been driven. The Data Informed Energy Estimation Software addresses this need by identifying the driving and roadway attributes most impactful on fuel consumption, and using large amounts of high resolution GPS data from real world driving to determine the average fuel consumption for all combinations of attributes. These attributes can include traffic conditions, vehicle speed, and road gradient among others. This aggregation technique results in a lookup table that provides energy consumption values for combinations of road and driving techniques. This lookup table is an extremely lightweight and versatile result that can be applied in a number of applications.

Holden, Jacob↗
DOE OSTI2013

GeoT User's Guide: A Computer Program for Multicomponent Geothermometry and Geochemical Speciation, Version 1.4

GeoT (Spycher et al., 2011) was developed by automating the multicomponent chemical geothermometry method of Reed and Spycher (1984). As needed, this program can be integrated with parameter estimation software. Without optimization, GeoT is useful for fast geothermometry computations with fluid compositions from single locations, and for independently processing fluids from multiple locations in one single program run.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Recovery Act: Analysis of Low-Temperature Utilization of Geothermal Resources (Final Technical Report)

Full realization of the potential of what might be considered “low-grade” geothermal resources will require that we examine many more uses for the heat than traditional electricity generation. To demonstrate that geothermal energy truly has the potential to be a national energy source we will be designing, assessing, and evaluating innovative uses for geothermal-produced water such as hybrid biomass-geothermal cogeneration of electricity and district heating and efficiency improvements to the use of cellulosic biomass in addition to utilization of geothermal in district heating for community redevelopment projects. The objectives of this project were: 1) to perform a techno-economic analysis of the integration and utilization potential of low-temperature geothermal sources. Innovative uses of low-enthalpy geothermal water were designed and examined for their ability to offset fossil fuels and decrease CO 2 emissions. 2) To perform process optimizations and economic analyses of processes that can utilize low-temperature geothermal fluids. These processes included electricity generation using biomass and district heating systems. 3) To scale up and generalize the results of three case study locations to develop a regionalized model of the utilization of low-temperature geothermal resources. A national-level, GIS-based, low-temperature geothermal resource supply model was developed and used to develop a series of national supply curves. We performed an in-depth analysis of the low-temperature geothermal resources that dominate the eastern half of the United States. The final products of this study include 17 publications, an updated version of the cost estimation software GEOPHIRES, and direct-use supply curves for low-temperature utilization of geothermal resources. The supply curves for direct use geothermal include utilization from known hydrothermal, undiscovered hydrothermal, and near-hydrothermal EGS resources and presented these results at the Stanford Geothermal Workshop. We also have incorporated our wellbore model into TOUGH2-EGS and began coding TOUGH2-EGS with the wellbore model into GEOPHIRES as a reservoir thermal drawdown option. Additionally, case studies for the WVU and Cornell campuses were performed to assess the potential for district heating and cooling at these two eastern U.S. sites.

15 GEOTHERMAL ENERGY↗