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DOE OSTI2020

ATDM AD projects to ECP Report (Q3 FY2020)

The SPARC team has completed much of the workflow development needed for the coupled and uncoupled analyses needed to support our flight test validation work. The SPARC team has continued to make progress on development activities to support unsteady, full reentry vehicle aero analysis, which have focused on turbulence modeling, uniform mesh refinement, in-situ visualization (with the Paraview/Catalyst team), and performance analysis. The SPARC team is making solid progress towards our Q4 goal of demonstrating an improved Wall Modeled Large Eddy Simulation (WMLES) capability for standard geometries using high-order finite difference, discontinuous Galerkin, and low-dissipation finite volume methods. The SPARC team has met the minimum completion criteria for parts of the L1, including documenting performance and scaling of SPARC on Trinity, Sierra and Astra, and performing runs for the flight test validation case.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Procedure design of F and B operation and its impact on the risk of a nuclear power plant - 168

A feed and bleed (F and B) operation is an operator's emergency task to remove core heat from a reactor coolant system by bleeding coolant from the pressurizer, and feeding makeup water through safety injection systems under the loss of all feedwater condition. Even though the F and B operation is an important task having a significant impact on the risk of a nuclear power plant, there is a high uncertainty regarding its modeling and analysis in a PSA. This paper introduces a study on the design of an operational strategy for an F and B operation and its impact on the risk of a nuclear power plant in Korea. An intensive support analysis was conducted to understand the plant behavior and revise the success criteria for the HRA of the F and B operation. A human performance analysis on the emergency tasks was also conducted using a training simulator to generate the operator's performance time for the F and B operation. We revised the PSA model and updated the risk of the reference plant, which shows that the risk of the revised model is much higher than that of the existing model. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Reduced order models for assessing CO 2 impacts in shallow unconfined aquifers

Risk assessment studies of potential CO 2 sequestration projects consider many factors, including the possibility of brine and/or CO 2 leakage from the storage reservoir. Detailed multiphase reactive transport simulations have been developed to predict the impact of such leaks on shallow groundwater quality; however, these simulations are computationally expensive and thus difficult to directly embed in a probabilistic risk assessment analysis. Here we present a process for developing computationally fast reduced-order models which emulate key features of the more detailed reactive transport simulations. A large ensemble of simulations that take into account uncertainty in aquifer characteristics and CO 2 /brine leakage scenarios were performed. Twelve simulation outputs of interest were used to develop response surfaces (RSs) using a MARS (multivariate adaptive regression splines) algorithm (Milborrow, 2015). A key part of this study is to compare different measures of ROM accuracy. We then show that for some computed outputs, MARS performs very well in matching the simulation data. The capability of the RS to predict simulation outputs for parameter combinations not used in RS development was tested using cross-validation. Again, for some outputs, these results were quite good. For other outputs, however, the method performs relatively poorly. Performance was best for predicting the volume of depressed-pH-plumes, and was relatively poor for predicting organic and trace metal plume volumes. We believe several factors, including the non-linearity of the problem, complexity of the geochemistry, and granularity in the simulation results, contribute to this varied performance. The reduced order models were developed principally to be used in probabilistic performance analysis where a large range of scenarios are considered and ensemble performance is calculated. We demonstrate that they effectively predict the ensemble behavior. But, the performance of the RSs is much less accurate when used to predict time-varying outputs from a single simulation. If an analysis requires only a small number of scenarios to be investigated, computationally expensive physics-based simulations would likely provide more reliable results. Finally, if the aggregate behavior of a large number of realizations is the focus, as will be the case in probabilistic quantitative risk assessment, the methodology presented here is relatively robust.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis :

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user's manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization Parameter Estimation Uncertainty Quantification and Sensitivity Analysis: Version 6.12 User's Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user's manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Dakota A Multilevel Parallel Object-Oriented Framework for Design Optimization Parameter Estimation Uncertainty Quantification and Sensitivity Analysis (V.6.14) (User's Manual)

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a users manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.13 User's Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user’s manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.15 User's Manual

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis (V.6.16 User's Manual)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Glovebox CFD Analysis: Low-Flow, Laminar CFD Analysis of Glovebox Ventilation and Humidity Transport in Ansys Fluent 2025 R1

There are gloveboxes that frequently exceed the 30% relative humidity level required for operations. These exceedances result in alternative operations needing to be utilized. This report documents a computational fluid dynamics (CFD) analysis performed to characterize airflow and humidity transport within a representative glovebox under nominal, low-flow conditions. The analysis focuses on establishing the flow regime, identifying transport-limited regions, and evaluating the implications of laminar flow on humidity removal. A single-phase, laminar flow model with a species transport model was used to represent air and water vapor mixing. Results demonstrate that, at the nominal flow rates, airflow is laminar with weak mixing, which will result in long residence times, tens of minutes long or more, in low-velocity regions. These conclusions suggests that humidity reduction is transport-limited. This analysis provides qualitative insight into airflow structure and humidity transport trends. In addition to characterization of glovebox airflow and humidity transport, results are intended to inform experimental validation and future transient modeling efforts.

42 ENGINEERING↗

DOE OSTI2022

Use of Machine Learning on PMU Data for Transmission System Fault Analysis

Synchrophasor technology has been used for monitoring, control, and protection of bulk power system for over 10 years. Deployment of phasor measurement units (PMUs) in the USA power system has surpassed 3000 units installed in the transmission substations as stand-alone intelligent electronic devices (IEDs) or as a software add-on to other devices such as digital protective relays (DPRs) or digital fault recorders (DFRs). By now, thousands of terabytes of PMU data may have been captured and stored by various transmission system operators (TSOs) and independent system operators (ISOs). This creates an opportunity to deploy advanced machine learning (ML) techniques to detect and classify faults recorded by PMUs automatically to be used by the system operators for rapid, critical decision-making when manual analysis of the past or unfolding events is not feasible. In this paper we offer a brief background on how the automated fault analysis may be done using DPR and/or DFR data, and compare some of the legacy approaches to the new ML approaches in the context of the system-wide PMU recordings. We then offer insights from developing practical ML solutions that have been applied on field recordings captured by close to 450 PMUs from all three US interconnections (Western, Eastern and ERCOT) over two years (2016-2017). We identify and illustrate ML challenges we addressed: inaccurate data, data with scarce and temporally imprecise fault labels, data recorded by PMUs sparsely located at substations resulting in the fault records taken afar from the ends of the faulted lines, data containing only positive sequence values, and data taken at different voltage levels. We then illustrate the ML model results for fault analysis under different application scenarios. The novelty of this study is not only in the design, implementation, and performance analysis of the ML algorithms, but also in the use of advanced fault modelling and simulation approaches to improve the training results when developing supervised ML models for fault detection and classification. Extensive simulations of faults were conducted on a 14-bus power system to create a training dataset with over 1400 accurately labelled faults. This dataset was applied to enhance the accuracy of fault detection and classification of machine learning-based models trained with small number of labelled faults in large datasets recorded in the grid interconnections ranging from 5,000 to 70,000 buses.

Synchrophasors, Machine Learning, Fault Analysis, ↗

DOE OSTI2023

Experimental Characterization of Hydrocarbons and Nitrogen Oxides Production in a Heavy-Duty Diesel–Natural Gas Reactivity-Controlled Compression Ignition Engine

Reactivity-Controlled Compression Ignition (RCCI) combustion is considered one of the most promising Low-Temperature Combustion (LTC) concepts aimed at reducing greenhouse gases for the transportation and power generation sectors. Due to the spontaneous combustion of a lean, nearly homogeneous mixture of air and low-reactivity fuel (LRF), ignited through the direct injection of a small quantity of high-reactivity fuel (HRF), RCCI (dual-fuel) shows higher efficiency and lower pollutants compared to conventional diesel combustion (CDC) if run at very advanced injection timing. Even though a HRF is used, the use of advanced injection timing leads to high ignition delays, compared to CDC, and generates high cycle-to-cycle variability, limited operating range, and high pressure rise rates at high loads. This work presents an experimental analysis performed on a heavy-duty single-cylinder compression ignited engine in dual-fuel diesel–natural gas mode. The objective of the present work is to investigate and highlight the correlations between combustion behavior and pollutant emissions, especially unburned hydrocarbons (HC) and oxides of nitrogen (NOx). Based on the analysis of crank-resolved pollutants measurements performed through fast FID and fast NOx systems under different engine operating conditions, two correlations were found demonstrating a good accordance between pollutant production and combustion behavior: Net Cyclic Hydrocarbon emission—cyclic IMEP variations (R 2 = 0.86), and Cyclic NOx—maximum value of the Rate of Heat Released (R 2 = 0.82).

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2015

KEPLER MISSION STELLAR AND INSTRUMENT NOISE PROPERTIES REVISITED

An earlier study of the Kepler Mission noise properties on timescales of primary relevance to detection of exoplanet transits found that higher than expected noise followed, to a large extent, from the stars rather than instrument or data analysis performance. The earlier study over the first six quarters of Kepler data is extended to the full four years ultimately comprising the mission. Efforts to improve the pipeline data analysis have been successful in reducing noise levels modestly as evidenced by smaller values derived from the current data products. The new analyses of noise properties on transit timescales show significant changes in the component attributed to instrument and data analysis, with essentially no change in the inferred stellar noise. We also extend the analyses to timescales of several days, instead of several hours to better sample stellar noise that follows from magnetic activity. On the longer timescale there is a shift in stellar noise for solar-type stars to smaller values in comparison to solar values.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Understanding Solar Photovoltaic System Performance: An Assessment of 75 Federal Photovoltaic Systems

This report presents a performance analysis of 75 photovoltaic systems based on PV system production data collected as part of a FEMP Federal PV Performance Assessment project combined with co-incident insolation, and ambient temperature to analyze how actual performance compares with a performance model. FEMP collaborated with 17 Federal agencies and sub-agencies to collect the information required to analyze the performance of each system. The systems represent a total capacity of 30,714 kW and range in size from 1 kW to 4,043 kW, with an average size of 410 kW, and were installed between 2011 and 2020. The data is analyzed for Key Performance Indicators, Availability, Performance Ratio and Energy Ratio by comparing the measured production data to model production data. The System Advisor Model (SAM) combines a description of the system (such as inverter capacity, de-rating for temperature, balance-of-system efficiency) with environmental parameters (coincident solar and temperature data) to calculate predicted performance. The performance metrics are calculated by lining up the measured production data with the model estimate on an hour-by-hour, day-by-day, or month-by-month basis (depending on the interval resolution of the production data). A report with system description, photo of the system, special assumptions made for the site, graph of measured production and model production, table of key performance indicators, and links to O&M resources that might improve performance was produced and delivered to site and agency staff with a short on-line briefing.

14 SOLAR ENERGY↗

DOE OSTI2014

Agent-based Large-Scale Emergency Evacuation Using Real-Time Open Government Data

The open government initiatives have provided tremendous data resources for the transportation system and emergency services in urban areas. This paper proposes a traffic simulation framework using high temporal resolution demographic data and real time open government data for evacuation planning and operation. A comparison study using real-world data in Seattle, Washington is conducted to evaluate the framework accuracy and evacuation efficiency. The successful simulations of selected area prove the concept to take advantage open government data, open source data, and high resolution demographic data in emergency management domain. There are two aspects of parameters considered in this study: user equilibrium (UE) conditions of traffic assignment model (simple Non-UE vs. iterative UE) and data temporal resolution (Daytime vs. Nighttime). Evacuation arrival rate, average travel time, and computation time are adopted as Measure of Effectiveness (MOE) for evacuation performance analysis. The temporal resolution of demographic data has significant impacts on urban transportation dynamics during evacuation scenarios. Better evacuation performance estimation can be approached by integrating both Non-UE and UE scenarios. The new framework shows flexibility in implementing different evacuation strategies and accuracy in evacuation performance. The use of this framework can be explored to day-to-day traffic assignment to support daily traffic operations.

big data↗

DOE OSTI2016

Fuel Performance Simulation of Iron-Chrome-Aluminum Cladding during Steady-State LWR Operation

During a severe accident scenario, such as a loss-of-coolant accident, a nuclear reactor may lose its capacity to cool its fuel. The fuel rod temperatures begin to increases, quickly reaching temperatures where the coolant begins to evaporate. This lowers the coolant level in the core and eventually uncovers the fuel. Without sufficient heat transfer from the fuel rods to the coolant, the temperature of the fuel and cladding will increase dramatically. In the case of traditional zirconium-based alloys, as the temperature of the cladding reaches ∼1200 deg. C the zirconium rapidly begins to oxidize with H{sub 2}O in the coolant and steam. This oxidation reaction causes both thinning of the Zr-alloy cladding as the metal reacts and releases large amounts of H{sub 2} gas into the reactor pressure vessel. In order to increase the safety margin of LWR fuel in severe accident scenarios, several alternative cladding materials have been proposed to replace the currently used zirconium-based alloys. Of these materials, there is a particular focus on select iron-chrome-aluminum (FeCrAl) alloys because of slower oxidation Kinetics in high temperature steam than zirconium-based alloys. This increased oxidation resistance may provide additional coping time to mitigate any further damage resulting from an accident. However, by changing the cladding material, the neutronic characteristics of the core will change. FeCrAl alloys exhibit thermal neutron absorption cross sections nearly ∼12-16 x greater than Zr-alloys. This decreases the reactivity of the core, subsequently decreasing the potential cycle length for operation. To counteract this, fissile material may be added in the form of increased enrichment or increased fuel mass or the cladding thickness might be decreased, effectively reducing the neutronic penalty from using the alloy. In this study, all three changes are considered. To assess the viability of FeCrAl as an alternative cladding to Zr-alloys, engineering-scale fuel performance analysis is used to monitor the cladding and integral fuel rod behavior through its operation. Ongoing work is being performed to identify key parameters essential to modeling FeCrAl alloys for LWR applications and properly model fuel compliance and stress relief mechanisms for UO{sub 2} fuel. To improve the predictive capability of fuel performance codes for FeCrAl cladding under normal operation, high-fidelity mechanistic/physics-based material models are needed. This information can be generated and improved by access to experimental data on targeted FeCrAl alloys. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

Optimization design of helium circulator diffuser in HTR-PM - 18488

Circulator is very important in HTR-PM. It needs to supply enough pressure rise to circulate cooled helium in the primary loop of HTR-PM to bring heat out. Its pressure rise requirement is the highest among the worldwide circulators. Diffuser is one main component to produce pressure rise for circulator. And the most particular for HTR-PM is that the helium must flow out from two round tubes after flowing through the diffuser, which is very different from other circulators. This special export structure increases flow loss and decreases diffuser efficiency. So it is necessary to optimize diffuser to satisfy high pressure rise requirement of HTR-PM circulator with the special export structure. Four geometrical variables of diffuser have been studied and optimized. Based on the flow and performance analysis, the optimum structure was chosen. Then the detailed simulation was done by combining it with impeller to obtain performance characteristics of the whole circulator. Finally, the simulation results were compared with experimental results. It was obtained that simulation pressure rise was 201 kPa and experimental result was 210 kPa, which verified that optimization design of diffuser was effective. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

The SRG/eROSITA All-Sky Survey: Dark Energy Survey year 3 weak gravitational lensing by eRASS1 selected galaxy clusters

Context. Number counts of galaxy clusters across redshift are a powerful cosmological probe if a precise and accurate reconstruction of the underlying mass distribution is performed – a challenge called mass calibration. With the advent of wide and deep photometric surveys, weak gravitational lensing (WL) by clusters has become the method of choice for this measurement. Aims. We measured and validated the WL signature in the shape of galaxies observed in the first three years of the Dark Energy Survey (DES Y3) caused by galaxy clusters and groups selected in the first all-sky survey performed by SRG (Spectrum Roentgen Gamma)/eROSITA (eRASS1). These data were then used to determine the scaling between the X-ray photon count rate of the clusters and their halo mass and redshift. Methods. We empirically determined the degree of cluster member contamination in our background source sample. The individual cluster shear profiles were then analyzed with a Bayesian population model that self-consistently accounts for the lens sample selection and contamination and includes marginalization over a host of instrumental and astrophysical systematics. To quantify the accuracy of the mass extraction of that model, we performed mass measurements on mock cluster catalogs with realistic synthetic shear profiles. This allowed us to establish that hydrodynamical modeling uncertainties at low lens redshifts (z < 0.6) are the dominant systematic limitation. At high lens redshift, the uncertainties of the sources’ photometric redshift calibration dominate. Results. With regard to the X-ray count rate to halo mass relation, we determined its amplitude, its mass trend, the redshift evolution of the mass trend, the deviation from self-similar redshift evolution, and the intrinsic scatter around this relation. Conclusions. The mass calibration analysis performed here sets the stage for a joint analysis with the number counts of eRASS1 clusters to constrain a host of cosmological parameters. We demonstrate that WL mass calibration of galaxy clusters can be performed successfully with source galaxies whose calibration was performed primarily for cosmic shear experiments, opening the way for the cluster cosmological exploitation of future optical and NIR surveys like Euclid and LSST.

79 ASTRONOMY AND ASTROPHYSICS↗