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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Quantitative Performance Assessment of Proxy Apps and Parents (Report for ECP Proxy App Project Milestone AD-CD-PA-504-5)

Proxy applications are small, simplified codes that allow application developers to share important features of large applications without forcing collaborators to assimilate large and complex code bases. Proxies can also be though of as models for larger codes. Because proxies omit features and capabilities of their parent applications (otherwise they wouldn’t be small), the question naturally arises whether any given proxy is actually a faithful model for its parent application for some particular modeling purpose. This report sets out to answer that question for some of the proxies in the ECP proxy app collection, with particular attention to performance. It also completes the AD-CD-PA-504 Milestone: "We will assess the fidelity of 8 proxy applications with respect to their respective parent applications using the methodology previously developed."

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Challenges of Achieving 2012 IECC Air Sealing Requirements in Multifamily Dwellings

While previous versions of the International Energy Conservation Code (IECC) have included provisions to improve the air tightness of dwellings, for the first time, the 2012 IECC mandates compliance verification through blower door testing. Simply completing the Air Barrier and Insulation Installation checklist through visual inspection is no longer sufficient by itself. In addition, the 2012 IECC mandates a significantly stricter air sealing requirement. In Climate Zones 3 through 8, air leakage may not exceed 3 ACH50, which is a significant reduction from the 2009 IECC requirement of 7 ACH50. This requirement is for all residential buildings, which includes low-rise multifamily dwellings. While this air leakage rate requirement is an important component to achieving an efficient building thermal envelope, currently, the code language doesn't explicitly address differences between single family and multifamily applications. In addition, the 2012 IECC does not provide an option to sample dwellings for larger multifamily buildings, so compliance would have to be verified on every unit. With compliance with the 2012 IECC air leakage requirements on the horizon, several of Consortium for Advanced Residential Building's (CARB’s) multifamily builder partners are evaluating how best to comply with this requirement. Builders are not sure whether it is more practical or beneficial to simply pay for guarded testing or to revise their air sealing strategies to improve compartmentalization to comply with code requirements based on unguarded blower door testing. This report summarizes CARB's research that was conducted to assess the feasibility of meeting the 2012 IECC air leakage requirements in 3 multifamily buildings.

2012 IECC↗
DOE OSTI2019

Implementation of a Risk-Informed Monitoring Program for the Saltstone Disposal Facility - 19374

Section 3116(b) of the Ronald W. Reagan National Defense Authorization Act for Fiscal Year 2005 (NDAA) requires the US NRC, in coordination with the appropriate State agency, to monitor certain disposal actions of the US DOE to assess compliance with the performance objectives in Subpart C of Part 61 of Title 10 of the Code of Federal Regulations (CFR). Under Section 3116(b), the US NRC monitors the US DOE disposal of salt waste at the Saltstone Disposal Facility (SDF) at the Savannah River Site (SRS) in South Carolina. Since the first US NRC monitoring plan for the SDF was issued in 2007, the US NRC staff has made the risk-significant areas of interest more specific. Following the US DOE issuance of the 2009 performance assessment for the SDF and the US NRC review of that document, the US NRC issued its second monitoring plan for the SDF in 2013. The 2013 US NRC monitoring plan included 11 monitoring areas, which were broken down into 40 specific monitoring factors. The US NRC prioritized those monitoring factors (i.e., low, medium, high) based on the sensitivity of model results to the assumptions or processes covered by the monitoring factor and the uncertainty in those assumptions or processes. Those monitoring factors can be opened, closed, revised, and re-prioritized based on new information or changes in the US DOE activities and plans. For example, the list of US NRC high-priority monitoring factors has changed in response to changing information. The flexibility of this approach allows the US NRC to remain focused on risk-significant areas of interest. The US NRC staff has made changes to the NDAA monitoring program at the SDF since the issuance of the 2007 monitoring plan. First, the development of more specific monitoring factors and the prioritization of those monitoring factors has been successful in focusing the US NRC and the US DOE resources on risk-significant issues and providing transparency to stakeholders. Second, the US NRC reviews have become more focused on addressing specific monitoring factors, which has made the process for updating the monitoring plan more transparent. Finally, periodic management meetings and monthly telephone calls maintain open communications between the US NRC, US DOE, South Carolina Department of Health and Environmental Control (SCDHEC), and US EPA. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

FAST-1.2.2: Integral Assessment

This integral assessment quantifies the predictive capabilities of Fuel Analysis under Steady-state and Transients (FAST), a thermal-mechanical nuclear fuel performance code designed to analyze fuel behavior from beginning of life to burnup levels allowed by the U.S. Nuclear Regulatory Commission. FAST code calculations are shown to compare satisfactorily to a pre-selected set of experimental data with both steady-state and anticipated operating occurrence conditions and design basis accident transient operating conditions. This document describes the assessment of FAST-1.2.2, the latest version of FAST, released April 2026.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Moisture Durability Assessment of Selected Well-insulated Wall Assemblies

This report presents the results from studying the hygrothermal performance of two well-insulated wall assemblies, both complying with and exceeding international building codes (IECC 2015 2014, IRC 2015). The hygrothermal performance of walls is affected by a large number of influential parameters (e.g., outdoor and indoor climates, workmanship, material properties). This study was based on a probabilistic risk assessment in which a number of these influential parameters were simulated with their natural variability. The purpose of this approach was to generate simulation results based on laboratory chamber measurements that represent a variety of performances and thus better mimic realistic conditions. In total, laboratory measurements and 6,000 simulations were completed for five different US climate zones. A mold growth indicator (MGI) was used to estimate the risk of mold which potentially can cause moisture durability problems in the selected wall assemblies. Analyzing the possible impact on the indoor climate due to mold was not part of this study. The following conclusions can be reached from analyzing the simulation results. In a hot-humid climate, a higher R-value increases the importance of the airtightness because interior wall materials are at lower temperatures. In a cold climate, indoor humidity levels increase with increased airtightness. Air leakage must be considered in a hygrothermal risk assessment, since air efficiently brings moisture into buildings from either the interior or exterior environment. The sensitivity analysis of this study identifies mitigation strategies. Again, it is important to remark that MGI is an indicator of mold, not an indicator of indoor air quality and that mold is the most conservative indicator for moisture durability issues.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2012

Development of Benchmark Examples for Quasi-Static Delamination Propagation and Fatigue Growth Predictions

The development of benchmark examples for quasi-static delamination propagation and cyclic delamination onset and growth prediction is presented and demonstrated for Abaqus/Standard. The example is based on a finite element model of a Double-Cantilever Beam specimen. The example is independent of the analysis software used and allows the assessment of the automated delamination propagation, onset and growth prediction capabilities in commercial finite element codes based on the virtual crack closure technique (VCCT). First, a quasi-static benchmark example was created for the specimen. Second, based on the static results, benchmark examples for cyclic delamination growth were created. Third, the load-displacement relationship from a propagation analysis and the benchmark results were compared, and good agreement could be achieved by selecting the appropriate input parameters. Fourth, starting from an initially straight front, the delamination was allowed to grow under cyclic loading. The number of cycles to delamination onset and the number of cycles during delamination growth for each growth increment were obtained from the automated analysis and compared to the benchmark examples. Again, good agreement between the results obtained from the growth analysis and the benchmark results could be achieved by selecting the appropriate input parameters. The benchmarking procedure proved valuable by highlighting the issues associated with choosing the input parameters of the particular implementation. Selecting the appropriate input parameters, however, was not straightforward and often required an iterative procedure. Overall the results are encouraging, but further assessment for mixed-mode delamination is required.

Krueger, Ronald↗
DOE OSTI2016

Flame ignition in the counterflow configuration: Reassessing the experimental assumptions

The counterflow configuration is widely used to study experimentally premixed and non-premixed flame ignition, with the advantage being that the data can be modeled using quasi one-dimensional codes. In this study, experiments and direct numerical simulations were carried out in order to assess the validity of the assumptions of the one-dimensional formulation. Experimentally, particle image velocimetry, shadowgraph, and a high-speed camera were employed to characterize the flow field before ignition, and to capture the ignition position and further evolution of the flame. The modeling involved axisymmetric numerical simulations using detailed molecular transport and chemical kinetic models. We report both experiments and simulations revealed that if solid surfaces are present in the vicinity of the jets exit, the flow separates generating recirculation zones that are unstable and result in the bifurcation of the flow field. As a result, for a given set of boundary conditions at the burners’ exits, there exists two possible stable states of the flow field which have different velocity and scalars distribution, and the fuel concentration at which ignition occurs was determined to differ for these two states. A novel approach is proposed to correct for the unavoidable radial non-uniformity of the temperature profile at the exit of the heated jet and the conditions that do not result in bifurcation are outlined, so that the results from one-dimensional codes can be compared to the data with confidence.

42 ENGINEERING↗
DOE OSTI2014

Challenges of Achieving 2012 IECC Air Sealing Requirements in Multifamily Dwellings

​While previous versions of the International Energy Conservation Code (IECC) have included provisions to improve the air tightness of dwellings, for the first time, the 2012 IECC mandates compliance verification through blower door testing. Simply completing the Air Barrier and Insulation Installation checklist through visual inspection is no longer sufficient by itself. In addition, the 2012 IECC mandates a significantly stricter air sealing requirement. In Climate Zones 3 through 8, air leakage may not exceed 3 ACH50, which is a significant reduction from the 2009 IECC requirement of 7 ACH50. This requirement is for all residential buildings, which includes low-rise multifamily dwellings. While this air leakage rate requirement is an important component to achieving an efficient building thermal envelope, currently, the code language doesn't explicitly address differences between single family and multifamily applications. In addition, the 2012 IECC does not provide an option to sample dwellings for larger multifamily buildings, so compliance would have to be verified on every unit. With compliance with the 2012 IECC air leakage requirements on the horizon, several of CARB's multifamily builder partners are evaluating how best to comply with this requirement. Builders are not sure whether it is more practical or beneficial to simply pay for guarded testing or to revise their air sealing strategies to improve compartmentalization to comply with code requirements based on unguarded blower door testing. This report summarizes CARB's research that was conducted to assess the feasibility of meeting the 2012 IECC air leakage requirements in 3 multifamily buildings.

&#8203↗
DOE OSTI2017

xLPR Post-Processing Documentation

The outputs available in the xLPR Version 2.0 code can be analyzed using statistical techniques that have been developed to compare sampling scheme selection, identify inputs for importance sampling, and assess result convergence and uncertainty. These techniques were developed and piloted for both the xLPR Scenario Analysis (SA) Report and the xLPR Sensitivity Analysis Template. This document provides a walk-through of the post-processing R code that was used to generate the results and figures presented in these documents. This page intentionally left blank.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Uncertainty Quantification of Calculated Temperatures for the AGR 3/4 Experiment

A series of Advanced Gas Reactor (AGR) irradiation experiments are being conducted within the Advanced Reactor Technology (ART) Fuel Development and Qualification Program. The main objectives of the fuel experimental campaign are to provide the necessary data on fuel performance to support fuel process development, qualify a fuel design and fabrication process for normal operation and accident conditions, and support development and validation of fuel performance and fission product transport models and codes (PLN 3636, “Technical Program Plan for INL Advanced Reactor Technologies Technology Development Office/Advanced Gas Reactor Fuel Development and Qualification Program”). The AGR 3/4 test was inserted in the Northeast Flux Trap position in the Advanced Test Reactor (ATR) core at Idaho National Laboratory (INL) in December 2011 and successfully completed irradiation in mid-April 2014, resulting in irradiation of the tristructural isotropic (TRISO) fuel for 369.1 effective full-power days (EFPDs) during approximately 2.4 calendar years. The AGR 3/4 data, including the irradiation data and calculated results, were qualified and stored in the Nuclear Data Management and Analysis System (NDMAS). To support the U.S. TRISO fuel performance assessment and to provide data for validation of fuel performance and fission product transport models and codes, the daily as run thermal analysis has been performed separately on each of twelve AGR 3/4 capsules for the entire irradiation as discussed in ECAR-2807, “AGR 3/4 Daily As Run Thermal Analyses”. The ABAQUS code’s finite element-based thermal model predicts the daily average volume average (VA) fuel temperature (FT), peak FT, and graphite matrix, sleeve, and sink temperature in each capsule. The JMOCUP simulation codes were also created to perform depletion calculations for the AGR 3/4 experiment (ECAR-2753, “JMOCUP As-Run Daily Physics Depletion Calculation for the AGR 3/4 TRISO Particle Experiment in ATR Northeast Flux Trap”). This depletion analysis provides fast fluence and fission heat rate data for all components (fuel compacts, graphite rings, stainless steel retainer, etc.), which are used as inputs for the thermal analysis codes. The graphite temperatures from thermocouples (TCs) in each capsule were used to calibrate these thermal analysis codes. However, given the high rate of TC failure under the harsh irradiation and thermal conditions in the AGR capsules, the thermal analysis results are very useful in aiding TC data qualification, increasing the confidence in delineating failures of the measuring instruments (TCs) from physical mechanisms that may have shifted the system thermal response.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Automating cell detection and classification in human brain fluorescent microscopy images using dictionary learning and sparse coding

Background Immunofluorescence (IF) plays a major role in quantifying protein expression in situ and understanding cell function. It is widely applied in assessing disease mechanisms and in drug discovery research. Automation of IF analysis can transform studies using experimental cell models. However, IF analysis of postmortem human tissue relies mostly on manual interaction, often subjected to low-throughput and prone to error, leading to low inter and intra-observer reproducibility. Human postmortem brain samples challenges neuroscientists because of the high level of autofluorescence caused by accumulation of lipofuscin pigment during aging, hindering systematic analyses. We propose a method for automating cell counting and classification in IF microscopy of human postmortem brains. Our algorithm speeds up the quantification task while improving reproducibility. New method Dictionary learning and sparse coding allow for constructing improved cell representations using IF images. These models are input for detection and segmentation methods. Classification occurs by means of color distances between cells and a learned set. Results Our method successfully detected and classified cells in 49 human brain images. We evaluated our results regarding true positive, false positive, false negative, precision, recall, false positive rate and F1 score metrics. We also measured user-experience and time saved compared to manual countings. Comparison with existing methods We compared our results to four open-access IF-based cell-counting tools available in the literature. Lastly, our method showed improved accuracy for all data samples. Conclusion The proposed method satisfactorily detects and classifies cells from human postmortem brain IF images, with potential to be generalized for applications in other counting tasks.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Radiative rates for E1, E2, M1, and M2 transitions in F-like ions with 37 ≤ Z ≤ 53

Calculations of energy levels, radiative rates and lifetimes are reported for 17 F-like ions with 37≤Z≤53. For brevity, results are only presented among the lowest 113 levels of the 2s{sup 2}2p{sup 5}, 2s2p{sup 6}, 2s{sup 2}2p{sup 4}3ℓ, 2s2p{sup 5}3ℓ, and 2p{sup 6}3ℓ configurations, although the calculations have been performed for up to 501 levels in each ion. The general-purpose relativistic atomic structure package (grasp) has been adopted for the calculations, and radiative rates (along with oscillator strengths and line strengths) are listed for all E1, E2, M1, and M2 transitions of the ions. Comparisons are made with earlier available experimental and theoretical energies, although these are limited to only a few levels for most ions. Therefore for additional accuracy assessments, particularly for energy levels, analogous calculations have been performed with the Flexible Atomic Code (fac), for up to 72 259 levels. Limited previous results are available for radiative rates for comparison purposes, and no large discrepancy is observed for any transition and/or ion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Radiative rates for E1, E2, M1, and M2 transitions in S-like to F-like tungsten ions (W LIX to W LXVI)

Calculations of energy levels, radiative rates and lifetimes are reported for eight ions of tungsten, i.e. S-like (W LIX) to F-like (W LXVI). A large number of levels have been considered for each ion and extensive configuration interaction has been included among a range of configurations. For the calculations, the general-purpose relativistic atomic structure package (grasp) has been adopted, and radiative rates (as well as oscillator strengths and line strengths) are listed for all E1, E2, M1, and M2 transitions of the ions. Comparisons have been made with earlier available experimental and theoretical energies, although these are limited to only a few levels for most ions. Therefore for additional accuracy assessments, particularly for energy levels, analogous calculations have been performed with the flexible atomic code (fac).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Analysis of a tungsten sputtering experiment in DIII-D and code/data validation of high redeposition/reduced erosion

We analyze a DIII-D tokamak experiment where two tungsten spots on the removable DiMES divertor probe were exposed to 12 s of attached plasma conditions, with moderate strike point temperature and density (~20 eV, ~4.5 × 10 19 m –3 ), and 3% carbon impurity content. Both very small (1 mm diameter) and small (1 cm diameter) deposited samples were used for assessing gross and net tungsten sputtering erosion. The analysis uses a 3-D erosion/redeposition code package (REDEP/WBC), with input from a diagnostic-calibrated near-surface plasma code (OEDGE), and with focus on charge state resolved impinging carbon ion flux and energy. The tungsten surfaces are primarily sputtered by the carbon, in charge states +1 to +4. We predict high redeposition (~75%) of sputtered tungsten on the 1 cm spot—with consequent reduced net erosion—and this agrees well with post-exposure DiMES probe RBS analysis data. As a result, this study and recent related work is encouraging for erosion lifetime and non-contamination performance of tokamak reactor high-Z plasma facing components.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Machine Learning in Infectious Disease for Risk Factor Identification and Hypothesis Generation: Proof of Concept Using Invasive Candidiasis

Machine learning (ML) models can handle large data sets without assuming underlying relationships and can be useful for evaluating disease characteristics, yet they are more commonly used for predicting individual disease risk than for identifying factors at the population level. We offer a proof of concept applying random forest (RF) algorithms to Candida-positive hospital encounters in an electronic health record database of patients in the United States. Candida-positive encounters were extracted from the Cerner HealthFacts database; invasive infections were laboratory-positive sterile site Candida infections. Features included demographics, admission source, care setting, physician specialty, diagnostic and procedure codes, and medications received before the first positive Candida culture. We used RF to assess risk factors for 3 outcomes: any invasive candidiasis (IC) vs non-IC, within-species IC vs non-IC (eg, invasive C. glabrata vs noninvasive C. glabrata), and between-species IC (eg, invasive C. glabrata vs all other IC). Fourteen of 169 (8%) variables were consistently identified as important features in the ML models. When evaluating within-species IC, for example, invasive C. glabrata vs non-invasive C. glabrata, we identified known features like central venous catheters, intensive care unit stay, and gastrointestinal operations. In contrast, important variables for invasive C. glabrata vs all other IC included renal disease and medications like diabetes therapeutics, cholesterol medications, and antiarrhythmics. Known and novel risk factors for IC were identified using ML, demonstrating the hypothesis-generating utility of this approach for infectious disease conditions about which less is known, specifically at the species level or for rarer diseases.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Engineered Option Treatment of Remediated Nitrate Salts: Surrogate Batch-Blending Testing

This report provides results from batch-blending test work for remediated nitrate salt (RNS) treatment. Batch blending was identified as a preferred option for blending RNS and unremediated nitrate salt (UNS) material with zeolite to effectively safe the salt/Swheat material identified as ignitable (U.S. Environmental Protection Agency code D001). Blending with zeolite was the preferred remediation option identified in the Options Assessment Report and was originally proposed as the best option for remediation by Clark and Funk in their report, Chemical Reactivity and Recommended Remediation Strategy for Los Alamos Remediated Nitrate Salt (RNS) Wastes, and also found to be a preferred option in the Engineering Options Assessment Report: Nitrate Salt Waste Stream Processing. This test work evaluated equipment and recipe alternatives to achieve effective blending of surrogate waste with zeolite.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

MPAS-Ocean NESAP Status Report

NESAP performance improvements on MPAS-Ocean have resulted in a 5% to 7% speed-up on each of the examined systems including Cori-KNL, Cori-Haswell, and Edison. These tests were configured to emulate a production workload by using 128 nodes and a high-resolution ocean domain. Overall, the gap between standard and many-core architecture performance has been narrowed, but Cori-KNL remains considerably under-performing relative to Edison. NESAP code alterations affected 600 lines of code, and most of these improvements will benefit other MPAS codes (sea ice, land ice) that are also components within ACME. Modifications are fully tested within MPAS. Testing in ACME across many platforms is underway, and must be completed before the code is merged. In addition, a ten-year production ACME global simulation was conducted on Cori-KNL in late 2016 with the pre-NESAP code in order to test readiness and configurations for scientific studies. Next steps include assessing performance across a range of nodes, threads per node, and ocean resolutions on Cori-KNL.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Preliminary Study on TRISO Fuel Cross Section Generation

Cross section self-shielding methodologies for TRISO fuel were assessed to provide accurate multigroup cross sections for a high-fidelity reactor physics code so that the code is able to accurately model and simulate advanced reactors with TRISO fuel. Initially, the two existing methodologies (the SCALE method and the Sanchez-Pomraning method) were studied and implemented to MC2-3 for detailed performance tests. Additionally, a new spatial self-shielding method, named the iterative local spatial self-shielding (ILSS) method, for particulate fuels was developed based on the disadvantage factor and implemented to MC2-3 as well. The new method approximately accounts for the effect of randomly distributed particles on the particle shadowing effect using a homogenized compact region surrounding a particle of interest at the center. The self-shielded cross sections of the particle at the center are determined iteratively since the cross sections of the homogenized compact region are calculated using them. For the energy range above 100 keV where the fuel-to-moderator ratio is more important than the random distribution of particles, a single particle unit-cell model is used by preserving the average amount of moderator per fuel particle in the system. The three self-shielding methods implemented in MC2-3 were tested using numerical benchmark problems made based on fuel compact problems of a prismatic-type very high temperature reactor. Test results indicated that the ILSS method produced slightly better results than the SCALE and Sanchez-Pomraning methods, compared to the Serpent-2 Monte Carlo results obtained with 25 independent random particle configurations. The SCALE and Sanchez-Pomraning methods tend to underestimate the heterogeneity effect by 150 and 100 pcm, respectively, while the new ILSS method overestimates the heterogeneity effect by 70 pcm. In future, the new self-shielding method will be extended to perform pebble calculations and compare results with those from the SCALE and Sanchez-Pomraning methods. Furthermore, the new method will be optimized for practical applications to on-the-fly resonance treatment for lattice or whole-core calculations for advanced reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗