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DOE OSTI2023

Electrochemical Behaviors of Bilayer Oxygen Electrode for Reversible Solid Oxide Cells

Reducing the resistances of oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) while retaining the stability of an oxygen electrode, even in the presence of air contaminants such as Cr, H2O and CO2, is of paramount importance to the current commercial development of intermediate-temperature reversible solid oxide cells (IT-RSOCs). In this presentation, a multifunctional, coarsening-resistant, air-contaminants-tolerant and yet ORR/OER-active oxygen electrode (OE) for IT-RSOCs is described. The testing results show that new bilayer OE exhibits a much better ORR/OER activity and stability than the single-layer benchmark LSCF-GDC OE. Remarkably, the new bilayer OE also demonstrates an exceptionally high resistance to Cr-attack, a critical issue to the development of commercial meal-interconnect loaded SOFC/SOEC stacks/systems. Theoretical analysis is also presented to understand the fundamental reasons for the improved ORR/OER activity and stability observed under real-world operating conditions.

Huang, Kevin↗

DOE OSTI2024

Studying the Random Number Generators in MCNP6 using an Analytic Benchmark

An analytic solution to a previously studied toy problem is derived and used as a code verification benchmark. Using various Random Number Generators (RNGs) in MCNP6, including the newest SFC64 RNG available in MCNP6.3.1, and their various properties (e.g., RNG stride), we show how these RNGs perform and how to correct or workaround potential issues with respect to the analytic benchmark problem.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

High performance flight simulation at NASA Langley

The use of real-time simulation at the NASA facility is reviewed specifically with regard to hardware, software, and the use of a fiberoptic-based digital simulation network. The network hardware includes supercomputers that support 32- and 64-bit scalar, vector, and parallel processing technologies. The software include drivers, real-time supervisors, and routines for site-configuration management and scheduling. Performance specifications include: (1) benchmark solution at 165 sec for a single CPU; (2) a transfer rate of 24 million bits/s; and (3) time-critical system responsiveness of less than 35 msec. Simulation applications include the Differential Maneuvering Simulator, Transport Systems Research Vehicle simulations, and the Visual Motion Simulator. NASA is shown to be in the final stages of developing a high-performance computing system for the real-time simulation of complex high-performance aircraft.

Cleveland, Jeff I., II↗

NASA NTRS2002

Collegiate Aviation Research and Education Solutions to Critical Safety Issues

This Conference Proceedings is a collection of 6 abstracts and 3 papers presented April 19-20, 2001 in Denver, CO. The conference focus was "Best Practices and Benchmarking in Collegiate and Industry Programs". Topics covered include: satellite-based aviation navigation; weather safety training; human-behavior and aircraft maintenance issues; disaster preparedness; the collegiate aviation emergency response checklist; aviation safety research; and regulatory status of maintenance resource management.

Bowen, Brent↗

DOE OSTI2020

Molten Salt Reactor Experiment Benchmark Evaluation

As one of the six advanced reactor concepts selected by the 2002 Generation IV roadmap as a technology meriting future research, Molten Salt Reactors (MSRs) attracted broad attention and multiple private and public entities are working towards its commercialization. Facing stringent regulatory requirements, validations of computational codes used to calculate and prove the safety characteristics of MSRs play a key role. This project developed the world-first, MSR-related reactor physics benchmark based on a series of zero-power experiments conducted at the Molten Salt Reactor Experiment (MSRE). The benchmark was successfully reviewed by the International Reactor Physics Experiment Evaluation Project (IRPhEP) committee and is available in the IRPhEP handbook starting form the 2019 edition. To benchmark experimental data from the MSRE, a three-dimensional high-fidelity model was developed using the Monte Carlo neutron transport code Serpent 2 and ad-hoc methods have been implemented to account for the unique feature of fuel salt motion. The calculated effective multiplication factor, k eff , for the first criticality experiment, when 235 U was progressively added to the fuel salt in order to achieve criticality with stationary salt and isothermal conditions, was 1.02132 (±3 pcm). The total uncertainty for experimental k eff was estimated to be 420 pcm. The calculated k eff is 2.154% larger than the experimental and benchmark model value, which is approximately five times the benchmark model uncertainty. It is to be noted that, for systems containing large volume of graphite (or other carbonaceous materials), Monte Carlo codes tend to overestimate the keff of the benchmark model by 1% to 2%. The bias is possibly due to uncertainties in the impurity content of the graphite blocks, uncertainty in the neutron capture cross section of carbon or uncertainty in the properties of nuclear-grade graphite. The calculated reactivity coefficient of 235 U concentration (0.2228 ± 0.0014, represented as the change of reactivity over the relative change of 235 U mass in loop) matches well with the experimental value (0.223 ± 0.006), strengthening the confidence on the accurate representation of the fuel salt composition in the MSRE benchmark. Additional reactivity effect calculations, including the control rod bank worth, reactivity effects of fuel circulation and isothermal and fuel temperature coefficients show good agreement with the experimental values (within 1σ) as well.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Final Design of a New Pulsed-Neutron Die-Away Experimental Testbed for Thermal Scattering Law Benchmarks (PNDA) (IER-501 CED-2)

This report presents the final design (CED-2) of IER-501, a testbed for pulsed-neutron die-away (PNDA) experiments at Lawrence Livermore National Laboratory (LLNL). The PNDA experiments will be high-quality benchmarks that serve to optimize and validate thermal neutron scattering laws (TSLs), which are high-priority nuclear data for the Department of Energy’s Nuclear Criticality Safety Program (NCSP). This CED-2 was guided by experimental results gathered from a prototype experimental set-up rather than with detailed simulations as is typically done for criticality experiments. The report presents the PNDA design and its equipment, and it documents the methodology used to postprocess the measured data. It discusses how experimental configurations influenced the decay-constant eigenvalue, or the integral parameter, of the experiment. The studied variations included the distance from the target to the generator, the orientation of the generator relative to the box, the orientation of the target to the generator, the effect of HDPE lining in the shielding box, the settings of the generator, and finally the benefits of using a low-scatter facility. From these results, a final configuration for the target, detectors, shielding box, and neutron generator was chosen. Two factors particularly influenced the chosen configuration: the reproducibility of the experiment’s geometry for benchmark modeling, and the minimization of measured neutrons scattered off the shielding box.

42 ENGINEERING↗

DOE OSTI2022

Thermal-Epithermal eXperiments – Hafnium Experiment Performed at the DOE’s National Criticality Experiments Research Center (NCERC)

The Thermal-Epithermal eXperiments (TEX) – Hafnium (TEX-Hf) experiments were completed in October 2022 at the DOE National Criticality Experiments Research Center (NCERC) at the Nevada National Security Site (NNSS). This measurement campaign provides seven unique configurations that can be used to validate the neutron absorption and scattering cross sections of hafnium in a highly enriched uranium (HEU) system. Hafnium is a strong neutron absorber important for marine propulsion systems. Mike Zerkle of the Naval Nuclear Laboratory (NNL) states, “The experiments were requested by Naval Reactors to provide a suite of unclassified, clean, and well-characterized benchmarks to drive improvements to hafnium nuclear data.” The experiments were a collaboration between Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), and NNL, funded by the Nuclear Criticality Safety Program (NCSP). The Hf was procured directly by NNL and provided for the experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Decoding polymer self-dynamics using a two-step approach

The self-correlation function and corresponding self-intermediate scattering function in Fourier space are important quantities for describing the molecular motions of liquids. This work draws attention to a largely overlooked issue concerning the analysis of these space-time density-density correlation functions of polymers. Here, we show that the interpretation of non-Gaussian behavior of polymers is generally complicated by intrachain averaging of distinct self-dynamics of different segments. By the very nature of the mathematics involved, the averaging process not only conceals critical dynamical information, but also contributes to the observed non-Gaussian dynamics. To fully expose this issue and provide a thorough benchmark of polymer self-dynamics, we perform analyses of coarse-grained molecular dynamics simulations of linear and ring polymer melts as well as several theoretical models using a “two-step” approach, where interchain and intrachain averagings of segmental self-dynamics are separated. While past investigations primarily focused on the average behavior, our results indicate that a more nuanced approach to polymer self-dynamics is clearly required.

36 MATERIALS SCIENCE↗

DOE OSTI2026

“One Table to Rule Them All”: How a Single Table can Enable Extensive Insights, Analytics and Assessment on Human Mobility Data

While much research has been conducted in Human Mobility Science, most studies on the analytics/insights part generally focus on one of the following: processing and analytics on human stop-trip behavior, design of individual mobility metrics (often in silos), calculation and characterization of only a handful (typically 5-6) of human mobility metrics on geospatial-temporal human mobility data of interest. Although human mobility research offers a vast and diverse array of available metrics, most individual studies typically compute only a small subset of five or six metrics at a time when analyzing trajectory datasets of human mobility across different areas of interest. This paper is motivated by the critical need to repeatedly compute an extensive array of human mobility metrics across several trajectory datasets and perform individual metric-level benchmarking to establish a new, standardized Test and Evaluation (T&E) suite for the field of Human Mobility Science. We first present our findings on the minimal yet sufficient pre-processing required to reliably and efficiently compute a wide range of human mobility metrics. The key findings are specifically related to the proposed Composite Stop Locations table, which serves as a core pre-processing data layer. Subsequently, we present a case study demonstrating how the Composite Stop Locations table facilitates computation of at least 14 distinct human mobility metrics (unlike 5-6 different set of metrics used for studies in the literature) using the popular and open-source OpenPFLOW dataset. Finally, we have also presented an example of our benchmarking methodology to evaluate the quality and performance of the trajectory dataset of interest, assessed across multiple human mobility metrics.

De, Debraj [ORNL] (ORCID:0000000233630020)↗

DOE OSTI2022

Initiating a Roadmap for Solar Fuels R&D: Imagining Beyond Thermochemical Cycles

Sandia National Laboratories in collaboration with the National Renewable Energy Laboratory outline a framework for developing a solar fuels roadmap based on novel concepts for hybridizing gas-splitting thermochemical cycle s with high-temperature electro chemical steps. We call this concept SoHyTEC, a Solar Hybrid Thermochemical-Electrochemical Cycle. The strategy focuses on transforming purely thermochemical cycles that split water (H 2 O) and carbon dioxide (CO 2 ) to produce hydrogen (H 2 ) and carbon monoxide (CO) , respectively, the fundamental chemical building blocks for diverse fuels and chemicals , by substituting thermochemical reactions with high-temperature electrochemical steps. By invoking high-temperature electrochemistry, the energy required to complete the gas-splitting cycle is divided into a thermal component (process temperature) and an electrical component (applied voltage). These components, sourced from solar energy, are independently variable knobs to maximize overall process efficiency. Furthermore, a small applied voltage can reduce cycle process temperature by hundreds of degrees , opening the door to cost-effective solar concentrators and practical receiver/reactor de signs. Using the SoHyTEC concept as a backdrop, we outline a framework that advocates developing methods for automating information gathering, critically evaluating thermochemical cycles for adapting into SoHyTEC, establishing requirements based on thermodynamic analysis, and developing a model-based approach to benchmarking a SoHyTEC system against a baseline concentrating solar thermal integrated electrolysis plant. We feel these framework elements are a necessary precursor to creating a robust and adaptive technology development roadmap for producing solar fuels using SoHyTEC. In one example, we introduce high-temperature electrochemistry as a method to manipulate a fully stoichiometric two-step metal oxide cycle that circumvents costly separation processes and ultra-high cycle temperatures. We also identify and group water-splitting chemistries that are conceptually amenable to hybridization.

14 SOLAR ENERGY↗

DOE OSTI2023

Bramblett and Czirr Self-Shielded Fission Rates for 235 U Physical and Analytic Benchmark

These experiments were performed by Bramblett and Czirr at UCRL (i.e., LLNL) in the late 1960s through the 1970s and evaluated by Mark Lee (LFO, retired) for the ICSBEP Handbook. Dimensions, geometry, and benchmark RSFR values are taken from the Handbook. All sample calculational results used COG 11.3 with ENDF/B-VIII.0 cross-sections. A sample input listing is provided in Appendix A.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

A Comparative Analysis of Waste-as-a-Feedstock Accounting Methods in Life Cycle Assessments

Global waste generation is a ubiquitous challenge, driving a paradigm shift towards viewing waste as a valuable resource for a circular economy across diverse sectors. While innovative waste-to-resource pathways are crucial, rigorous Life Cycle Assessment (LCA) is essential to ensure the pathways are an important part of current practices. However, LCA application to waste valorization varies, leading to incomparable results due to differing methodological choices. This paper examines three key nuances in waste-as-resource LCAs: the zero-burden assumption, the biogenic carbon neutrality assumption, and the benchmark assumption for emissions avoidance. Using a waste gasification to hydrogen case study, we demonstrate how these methodological decisions impact LCA outcomes. Our findings reveal that waste composition significantly influences the results and highlight challenges associated with biogenic carbon accounting under various system boundary assumptions. Emissions avoidance accounting requires multi-functional unit perspectives and robust benchmark selection. This paper clarifies these accounting approaches, empirically illustrates their influence, and discusses broad implications for accurate sustainability assessment, emphasizing the critical role of transparent LCA choices for effective policy and investment in circular economy solutions.

LCA method↗

DOE OSTI2021

Expanding standards in viromics: in silico evaluation of dsDNA viral genome identification, classification, and auxiliary metabolic gene curation

Viruses influence global patterns of microbial diversity and nutrient cycles. Though viral metagenomics (viromics), specifically targeting dsDNA viruses, has been critical for revealing viral roles across diverse ecosystems, its analyses differ in many ways from those used for microbes. To date, viromics benchmarking has covered read pre-processing, assembly, relative abundance, read mapping thresholds and diversity estimation, but other steps would benefit from benchmarking and standardization. Here we use in silico-generated datasets and an extensive literature survey to evaluate and highlight how dataset composition (i.e., viromes vs bulk metagenomes) and assembly fragmentation impact (i) viral contig identification tool, (ii) virus taxonomic classification, and (iii) identification and curation of auxiliary metabolic genes (AMGs). The in silico benchmarking of five commonly used virus identification tools show that gene-content-based tools consistently performed well for long (≥3 kbp) contigs, while k -mer- and blast-based tools were uniquely able to detect viruses from short (≤3 kbp) contigs. Notably, however, the performance increase of k -mer- and blast-based tools for short contigs was obtained at the cost of increased false positives (sometimes up to ~5% for virome and ~75% bulk samples), particularly when eukaryotic or mobile genetic element sequences were included in the test datasets. Furthermore, for viral classification, variously sized genome fragments were assessed using gene-sharing network analytics to quantify drop-offs in taxonomic assignments, which revealed correct assignations ranging from ~95% (whole genomes) down to ~80% (3 kbp sized genome fragments). A similar trend was also observed for other viral classification tools such as VPF-class, ViPTree and VIRIDIC, suggesting that caution is warranted when classifying short genome fragments and not full genomes. Finally, we highlight how fragmented assemblies can lead to erroneous identification of AMGs and outline a best-practices workflow to curate candidate AMGs in viral genomes assembled from metagenomes. Together, these benchmarking experiments and annotation guidelines should aid researchers seeking to best detect, classify, and characterize the myriad viruses ‘hidden’ in diverse sequence datasets.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1990

Parallel Ada benchmarks for the SVMS

The use of parallel processing paradigm to design and develop faster and more reliable computers appear to clearly mark the future of information processing. NASA started the development of such an architecture: the Spaceborne VHSIC Multi-processor System (SVMS). Ada will be one of the languages used to program the SVMS. One of the unique characteristics of Ada is that it supports parallel processing at the language level through the tasking constructs. It is important for the SVMS project team to assess how efficiently the SVMS architecture will be implemented, as well as how efficiently Ada environment will be ported to the SVMS. AUTOCLASS II, a Bayesian classifier written in Common Lisp, was selected as one of the benchmarks for SVMS configurations. The purpose of the R and D effort was to provide the SVMS project team with the version of AUTOCLASS II, written in Ada, that would make use of Ada tasking constructs as much as possible so as to constitute a suitable benchmark. Additionally, a set of programs was developed that would measure Ada tasking efficiency on parallel architectures as well as determine the critical parameters influencing tasking efficiency. All this was designed to provide the SVMS project team with a set of suitable tools in the development of the SVMS architecture.

Collard, Philippe E.↗

NASA NTRS2013

Engineering Evaluation of International Low Impact Docking System Latch Hooks

The international Low Impact Docking System (iLIDS) provides a structural arrangement that allows for visiting vehicles to dock with the International Space Station (ISS) (Fig 1). The iLIDS docking units are mechanically joined together by a series of active and passive latch hooks. In order to preserve docking capability at the existing Russian docking interfaces, the iLIDS latch hooks are required to conform to the existing Russian design. The latch hooks are classified as being fail-safe. Since the latch hooks are fail-safe, the hooks are not fracture critical and a fatigue based service life assessment will satisfy the structural integrity requirements. Constant amplitude fatigue testing to failure on four sets of active/passive iLIDS latch hooks was performed at load magnitudes of 10, 11, and 12 kips. Failure analysis of the hook fatigue failures identified multi-site fatigue initiation that was effectively centered about the hook mid-plane (consistent with the 3D model results). The fatigue crack initiation distribution implies that the fatigue damage accumulation effectively results in a very low aspect ratio surface crack (which can be simulated as thru-thickness crack). Fatigue damage progression resulted in numerous close proximity fatigue crack initiation sites. It was not possible to determine if fatigue crack coalescence occurs during cyclic loading or as result of the fast fracture response. The presence of multiple fatigue crack initiation sites on different planes will result in the formation of ratchet marks as the cracks coalesce. Once the stable fatigue crack becomes unstable and the fast fracture advances across the remaining ligament and the plane stress condition at a free-surface will result in failure along a 45 deg. shear plane (slant fracture) and the resulting inclined edge is called a shear lip. The hook thickness on the plane of fatigue crack initiation is 0.787". The distance between the shear lips on this plane was on the order of 0.48" and it was effectively centered about the mid-plane of the section. The numerous ratchet marks between the shear lips on the fracture initiation plane are indicative of multiple fatigue initiation sites within this region. The distribution of the fatigue damage about the centerline of the hook is consistent with the analytical results that demonstrate peak stress/strain response at the mid-plane that decreases in the direction of the hook outer surfaces. Scanning electron microscope images of the failed sections detected fatigue crack striations in close proximity to the free surface of the hook radius. These findings were documented at three locations on the fracture surface : 1) adjacent to the left shear lip, 2) adjacent to the right shear lip, and 3) near the centerline of the section. The features of the titanium fracture surface did not allow for a determination of a critical crack size via identification of the region where the fatigue crack propagation became unstable. The fracture based service life projections where benchmarked with strain-life analyses. The strainrange response in the hook radius was defined via the correlated finite element models and the modified method of universal slopes was incorporated to define the strain-life equation for the titanium alloy. The strain-life assessment confirmed that the fracture based projections were reasonable for the loading range of interest. Based upon the analysis and component level fatigue test data a preliminary service life capability for the iLIDS active and passive hooks of 2 lifetimes is projected (includes a scatter factor of 4).

Martinez, J.↗

DOE OSTI2025

Exploring the Functional Performance of a Commercial High-Temperature Photopolymer Resin for Vat Photopolymerized Injection Molding Tools

Additive manufacturing (AM) presents a promising approach for rapid tooling, offering significant reductions in production costs and lead times compared to that of conventional moldmaking processes. This work examines the fabrication of molds for injection molding through vat photopolymerization (VPP) AM, using a commercially available photopolymer resin intended for high temperature applications (High Temp V2 resin). The photorheological behavior of the resin is examined to evaluate its curing kinetics and mechanical development during polymerization, ensuring suitability for mold fabrication. The thermal and mechanical properties of the printed photopolymer resin are characterized, alongside assessments of dimensional accuracy and surface finish, which are critical factors influencing the performance and quality of injection molded parts. Additionally, specimens produced using VPP-fabricated molds are evaluated and benchmarked against those molded with traditional metal molds.

Jones, Haley W. [Savannah River National Laborator↗

DOE OSTI2022

Whole core analysis of OECD/NEA TVA-WB1 benchmark exercise 1 using continuous-energy Monte Carlo code MVP with JENDL-4.0u and ENDF/B-VII.0

The TVA WB1 benchmark problem was precisely modeled in accordance with the geometry and material specifications, and benchmark exercise 1 was solved with the MVP code and the nuclear data libraries based on JENDL-4.0u (JENDL-4.0 updated file) and ENDF/B-VII.0. The criticality, the control rod bank worth, the isothermal temperature coefficient (ITC), the integral rod worth of bank D, and differential soluble boron worth (DBW) were obtained. The criticality and the control rod bank worth were compared with the measured data and published calculation results with other codes, Serpent and KENO. The criticality and the control rod bank worth calculated by MVP and the libraries agree with the measured and the published calculation results within the criteria specified in the ANSI/ANS standard. From these results, the calculation model for the MVP and the libraries was verified. The other parameters such as ITC, the integral rod worth, and DBW were also compared between JENDL-4.0u and ENDF/B-VII.0. The comparison of the results shows JENDL-4.0u and ENDF/B-VII.0 give comparable results within the standard deviation, the difference between libraries is small. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

EXPRES. I. HD 3651 as an Ideal RV Benchmark

The next generation of exoplanet-hunting spectrographs should deliver up to an order of magnitude improvement in radial velocity (RV) precision over the standard 1 m s{sup −1} state-of-the-art spectrographs. This advance is critical for enabling the detection of Earth-mass planets around Sun-like stars. New calibration techniques such as laser frequency combs and stabilized etalons ensure that the instrumental stability is well characterized. However, additional sources of error include stellar noise, undetected short-period planets, and telluric contamination. To understand and ultimately mitigate error sources, the contributing terms in the error budget must be isolated to the greatest extent possible. Here, we introduce a new high-cadence RV program, the Extreme Precision Spectrograph (EXPRES) 100 Earths Survey, which aims to identify rocky planets around bright, nearby G and K dwarfs. We also present a benchmark case: the 62 day orbit of a Saturn-mass planet orbiting the chromospherically quiet star, HD 3651. The combination of high eccentricity (0.6) and a moderately long orbital period ensures significant dynamical clearing of any inner planets. Our Keplerian model for this planetary orbit has a residual rms of 58 cm s{sup −1} over a ∼6 month time baseline. By eliminating significant contributors to the RV error budget, HD 3651 serves as a standard for evaluating the long-term precision of extreme precision RV programs.

79 ASTRONOMY AND ASTROPHYSICS↗