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DOE OSTI2023

Templates of expected measurement uncertainties

The covariance committee of CSEWG (Cross Section Evaluation Working Group) established templates of expected measurement uncertainties for neutron-induced total, (n,γ), neutron-induced charged-particle, and (n,xn) reaction cross sections as well as prompt fission neutron spectra, average prompt and total fission neutron multiplicities, and fission yields. Templates provide a list of what uncertainty sources are expected for each measurement type and observable, and suggest typical ranges of these uncertainties and correlations based on a survey of experimental data, associated literature, and feedback from experimenters. Information needed to faithfully include the experimental data in the nuclear-data evaluation process is also provided. These templates could assist (a) experimenters and EXFOR compilers in delivering more complete uncertainties and measurement information relevant for evaluations of new experimental data, and (b) evaluators in achieving a more comprehensive uncertainty quantification for evaluation purposes. This effort might ultimately lead to more realistic evaluated covariances for nuclear-data applications. In this topical issue, we cover the templates coming out of this CSEWG effort–typically, one observable per paper. This paper here prefaces this topical issue by introducing the concept and mathematical framework of templates, discussing potential use cases, and giving an example of how they can be applied (estimating missing experimental uncertainties of 235 U(n,f) average prompt fission neutron multiplicities), and their impact on nuclear-data evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1992

Modelling and experimental verification of a water alleviation system for the NASP

One possible low speed propulsion system for the National Aerospace Plane is a liquid air cycle engine (LACE). The LACE system uses the heat sink in the liquid hydrogen propellant to liquefy air in a heat exchanger which is then pumped up to high pressure and used as the oxidizer in a hydrogen liquid air rocket. The inlet airstream must be dehumidified or moisture could freeze on the cryogenic heat exchangers and block them. The main objective of this research has been to develop a computer simulation of the cold tube/antifreeze-spray water alleviation system and to verify the model with experimental data. An experimental facility has been built and humid air tests were conducted on a generic heat exchanger to obtain condensing data for code development. The paper describes the experimental setup, outlines the method of calculation used in the code, and presents comparisons of the calculations and measurements. Cause of discrepancies between the model and data are explained.

Vanfossen, G. James↗

DOE OSTI2022

Strongly Correlated Quantum Spin Liquids versus Heavy Fermion Metals: A Review

This review considers the topological fermion condensation quantum phase transition (FCQPT) that explains the complex behavior of strongly correlated Fermi systems, such as frustrated insulators with quantum spin liquid and heavy fermion metals. The review contrasts theoretical consideration with recent experimental data collected on both heavy fermion metals (HF) and frustrated insulators. Such a method allows to understand experimental data. We also consider experimental data collected on quantum spin liquid in Lu 3 Cu 2 Sb 3 O 14 and quasi-one dimensional (1D) quantum spin liquid in both YbAlO 3 and Cu(C 4 H 4 N 2 )(NO 3 ) 2 with the aim to establish a sound theoretical explanation for the observed scaling laws, Landau Fermi liquid (LFL) and non-Fermi-liquid (NFL) behavior exhibited by these frustrated insulators. The recent experimental data on the heavy-fermion metal α-YbAl 1-x Fe x B 4 , with x=0.014, and on its sister compounds β-YbAlB 4 and YbCo 2 Ge 4 , carried out under the application of magnetic field as a control parameter are analyzed. We show that the thermodynamic and transport properties as well as the empirical scaling laws follow from the fermion condensation theory. We explain how both the similarity and the difference in the thermodynamic and transport properties of α-YbAl 1-x Fe x B 4 and in its sister compounds β-YbAlB 4 and YbCo 2 Ge 4 emerge, as well as establish connection of these (HF) metals with insulators Lu 3 Cu 2 Sb 3 O 14 , Cu(C 4 H 4 N 2 )(NO 3 ) 2 and YbAlO 3 . We demonstrate that the universal LFL and NFL behavior emerge because the HF compounds and the frustrated insulators are located near the topological FCQPT or are driven by the application of magnetic fields.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Evaluated 238 U(n,f) Average Prompt Fission Neutron Multiplicities Including the CGMF Model

This report documents an evaluation of the average prompt fission neutron multiplicity, $\overline{v}_p$, of 238 U from 800 keV to MeV. This evaluation had to be re-done from “scratch” as the input to previous $\overline{v}_p$ evaluations, specifically ENDF/B-VIII.0, was not found. That means that all available experimental data were re-analyzed and uncertainties were re-estimated. The new evaluated 238 U $\overline{v}_p$ based on only experimental data differs distinctly from ENDF/B-VIII.0 $\overline{v}_p$ from 2 to 4.5 MeV, and from 6 to 7 MeV, and is otherwise similar. The difference from 2 to 4.5 MeV stems from the fact that ENDF/B-VIII.0 was tweaked in this energy range to data of Frehaut, while two other, equally trustworthy, data sets would indicate an evaluated 238 U $\overline{v}_p$ that is up to 2% higher. Also, second chance fission in ENDF/B-VIII.0 was smoothed over from 6–7 MeV. Another major difference to ENDF/B-VIII.0 is that one of the evaluations presented here includes model information from the Hauser-Feshbach fission fragment decay code CGMF, while ENDF/B-VIII.0 is based purely on experimental data. CGMF links several fission quantities with each other; $\overline{v}_p$ is predicted by assumptions made on, e.g., pre-neutron emission yields as a function of mass, the total kinetic energy, or spin and parity of fission fragments. This allows to validate the new 238 U $\overline{v}_p$ by using CGMF parameters obtained from fitting to experimental 238 U $\overline{v}_p$ to predict yields as a function of mass, the average total kinetic energy, or the mean energy of the prompt fission neutron spectrum. These model-predicted values can then be compared to experimental and evaluated data. The model-predicted fission-observable values using evaluated parameters obtained here are reasonably close to experimental data for some observables, but are farther away from experimental data related to TKE observables. In addition to that, the evaluated 238 U(n,f) $\overline{v}_p$ shows similar deviations from ENDF/B-VIII.0 as for the evaluation with only experimental data. This difference is expected to lead to changes in simulated effective neutron multiplication factor, $k_{eff}$ of ICSBEP critical assemblies that are sensitive to 238 U in the fast range (BigTen, Flattop, Flattop-Pu). These changes in $k_{eff}$ need to be counter-balanced. Chi-Nu PFNS experimental data are expected to be released in the next few months that might lead to the needed changes in the PFNS. Until then, we hold off in benchmarking the new 238 U(n,f) $\overline{v}_p$ as well as submitting it to ENDF/B-VIII.1. Also, new high-precision 238 U $\overline{v}_p$ are expected to be measured by the CEA in the next two years that will shed further light on question on 238 U $\overline{v}_p$ from 2–4.5 and 6–7 MeV.

238U↗

DOE OSTI2026

Application of machine learning techniques for fast MeV x-ray spectra unfolding from filter stack spectrometer data

Recovery of MeV x-ray spectra from detector signals is difficult because the response matrix inversion is ill-conditioned and current methods are too slow for high-repetition-rate experiments. In this work, we make use of neural networks to unfold MeV x-ray spectra from measurements obtained with a filter stack spectrometer at rates of near 40 Hz. The neural network was trained on synthetic data and tested on both synthetic and experimental data, the latter obtained in two separate experiments performed at the Omega EP laser facility. We show here that this unfolding method has good performance on synthetic data and that it is a promising option for experimental data of up to 40 MeV. The accuracy on experimental data is verified by using a simple forward model to compare against measured values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Nuclear Structure and Decay Data for A=169 Isobars

Experimental data pertaining to all nuclei with mass number A=169 (Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt) have been evaluated. Level schemes from both radioactive decay and reaction studies are presented, along with associated tables of experimental data and adopted properties for levels and γ rays. The present evaluation for A=169 supersedes the 2008 evaluation, 2008Ba31, by C.M. Baglin. A few highlights of this evaluation: More extensive work on ε decay from 169W is needed and new experimental work will be required to resolve a discrepancy between the J π values deduced for a 180-keV level in 169Ta based on extensive band structure from (HI,xnγ) work (J π =1/2−) and TDPAD measurements (J=5/2). Low lying states of 169Os were studied via fine structure of 173Pt α decay in 2014ThZZ. The Eαs feeding the g.s. of 169Os in 2008Ba31 are separated well into two consistent groups to feed the g.s. and the newly proposed state at 34.84 keV. Based on the studies of 2014ThZZ and 2021Zh52, the g.s. spin-parity assignment of 169Os has been proposed to be (7/2−) from (5/2−). The 169Ir g.s. half-life and alpha emission branching reported in 2012Th13 from 173Au α decay measurements are preferred over the values in 2005Sc22. The reported half-life value in 2005Sc22 for 169Ir g.s. is discrepant and the research work was carried out in the same lab of 2012Th13.

Basunia, M Shamsuzzoha↗

DOE OSTI2021

Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials

Quantifying the adsorption of chemical mixtures in porous adsorbents is critical to developing these materials for useful separation applications. The ideal adsorbed solution theory (IAST) is the most widely applied mixing theory for predicting mixture adsorption using single-component adsorption data, but a perceived lack of experimental data has limited previous efforts to explore the accuracy of IAST in a systematic way. In this paper, we take advantage of a large collection of binary experimental data for gas adsorption that became available recently to tackle this issue. Specifically, we identify more than 400 examples in which binary adsorption data and single-component data are available in the same publication and apply IAST to all these examples. This analysis includes experimental data from 63 gas mixtures of 37 different molecular species and 174 different adsorbents. In addition to being the most systematic evaluation to date of the accuracy of IAST for gas adsorption, these data will be valuable for future efforts to test or develop mixing theories that improve upon IAST.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Provenance infrastructure for multimodal x-ray experiments and reproducible analysis

Exploring relationships between material structures and desired properties for material discovery and synthesis requires mining machine-readable databases and linking experimental data with sufficiently rich annotations. There are vast gaps both in these data sources and in the connections between them. We present a provenance-based data management and analysis framework that enables capturing, persisting, and reanalyzing experimental data from the BNL National Synchrotron Light Source II (NSLS-II). Our system leverages NSLS-II Bluesky for experimental data acquisition, captures analysis parameters, and enriches the search space with results from the scientific literature. We describe in detail the challenges and benefits of data-driven approaches when comparing computational and experimental data, such as the multiple possible scenarios of interest in often ill-posed inverse problems and missing data. Our infrastructure utilizes the NSLS-II event model and includes discovery mechanisms across multiple beamlines. A text and data mining module using natural language processing classification techniques extracts relevant information from the literature that is added to data sources. We describe a provenance acquisition and analysis rerun workflow based on a directed acyclic graph that keeps track of process and data provenance and allows to replay analysis.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Resolving Discrepancies between State-of-the-Art Theory and Experiment for HO 2 + HO 2 via Multiscale Informatics

Recent high-level theoretical calculations predict a mild temperature dependence for HO 2 + HO 2 inconsistent with state-of-the-art experimental determinations that upheld the stronger temperature dependence observed in early experiments. Via MultiScale Informatics analysis of the theoretical and experimental data, we identified an alternative interpretation of the raw experimental data that uses HO 2 + HO 2 rate constants nearly identical to theoretical predictions---implying that the theoretical and experimental data are actually consistent, at least when considering the raw data from experimental studies. Here, similar analyses of typical signals from low-temperature experiments indicate that an HOOOOH intermediate---identified by recent theory but absent from earlier interpretations---yields modest effects that are smaller than, but may have contributed to, the scatter in data among different experiments. More generally, the findings demonstrate that modern chemical theories and experiments have progressed to a point where meaningful comparison requires joint consideration of their data simultaneously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A Semi-Detailed Pyrolytic Gas-Phase Kinetic Model for the Volatiles of Polyethylene Thermal Degradation

This work presents a semi-detailed kinetic model to address the pyrolytic gas-phase reactivity of volatiles formed during thermal degradation of polyethylene (PE). The model builds on a validated multi-step condensed-phase model and employs validated lumping approaches. Short-chain compounds are modelled with high detail, while long-chain ones are described by surrogate species representative of diesel-cuts (NC16H32) and waxes (NC30H60). The reactivity of short chains is described through the comprehensive CRECK kinetic model, updated to align C5-C7 olefins based on recent literature experimental data. Due to the lack of experimental data for longer olefins, their reactivity is modeled by analogy to the shorter ones, ensuring an asymptotic behavior with increasing carbon numbers. The semi-detailed model is validated through experimental data on PE pyrolysis, assuming an instantaneous mixing of the inert inlet flow with released volatiles, followed by a segregated plug-flow behavior. Validation across different reactor setups confirms the model’s capability to predict detailed product distributions. Despite minor discrepancies, the proposed model effectively captures experimental trends. Further work will address modelling the reactivity in oxygen-containing environments.

kinetics↗

DOE OSTI2025

A Semi-Detailed Pyrolytic Gas-Phase Kinetic Model for the Volatiles of Polyethylene Thermal Degradation

kinetics↗

NASA NTRS2014

Computational Simulations of Convergent Nozzles for the AIAA 1st Propulsion Aerodynamics Workshop

Computational Fluid Dynamics (CFD) simulations were completed for a series of convergent nozzles in participation of the American Institute of Aeronautics and Astronautics (AIAA) 1st Propulsion Aerodynamics Workshop. The simulations were performed using the Wind-US flow solver. Discharge and thrust coefficients were computed for four axisymmetric nozzles with nozzle pressure ratios (NPR) ranging from 1.4 to 7.0. The computed discharge coefficients showed excellent agreement with available experimental data; the computed thrust coefficients captured trends observed in the experimental data, but over-predicted the thrust coefficient by 0.25 to 1.0 percent. Sonic lines were computed for cases with NPR >= 2.0 and agreed well with experimental data for NPR >= 2.5. Simulations were also performed for a 25 deg. conic nozzle bifurcated by a flat plate at NPR = 4.0. The jet plume shock structure was compared with and without the splitter plate to the experimental data. The Wind-US simulations predicted the shock structure well, though lack of grid resolution in the plume reduced the sharpness of the shock waves. Unsteady Reynolds-Averaged Navier-Stokes (URANS) simulations and Detached Eddy Simulations (DES) were performed at NPR = 1.6 for the 25 deg conic nozzle with splitter plate. The simulations predicted vortex shedding from the trailing edge of the splitter plate. However, the vortices of URANS and DES solutions appeared to dissipate earlier than observed experimentally. It is believed that a lack of grid resolution in the region of the vortex shedding may have caused the vortices to break down too soon

DES↗

NASA NTRS1974

Comparisons of two-dimensional shock-expansion theory with experimental aerodynamic data for delta-planform wings at high supersonic speeds

An investigation has been conducted to explore the potential for optimizing airfoil shape at high supersonic speeds by utilizing the two-dimensional shock-expansion method. Theoretical and experimental force and moment coefficients are compared for four delta-planform semispan wings having a leading-edge sweep angle of 65 deg and incorporating modified diamond airfoils with a thickness-chord ratio of 0.06. The wings differ only in airfoil maximum-thickness position and camber. The experimental data are obtained at Mach numbers of 3.95 and 4.63 and at a Reynolds number of 9.84 million per meter. A relatively simple method is developed for predicting, in terms of lift-drag ratio, the optimum modified diamond airfoil at high supersonic and hypersonic speeds.

Jernell, L. S.↗

DOE OSTI2026

The nucleardatapy toolkit for simple access to experimental nuclear data, astrophysical observations, and theoretical predictions

Systematic comparisons across theoretical predictions for the properties of dense matter, nuclear physics data, and astrophysical observations (also called meta-analyses) are performed. Existing predictions for symmetric nuclear and neutron matter properties are considered, and they are shown in this paper as an illustration of the present knowledge. Asymmetric matter is constructed assuming the isospin asymmetry quadratic approximation. It is employed to predict the pressure at twice saturation energy-density based only on nuclear-physics constraints, and we find it compatible with the one from the gravitational-wave community. To make our meta-analysis transparent, updated in the future, and to publicly share our results, the Python toolkit nucleardatapy is described and released here. Hence, this paper accompanies nucleardatapy, which simplifies access to nuclear-physics data, including theoretical calculations, experimental measurements, and astrophysical observations. This Python toolkit is designed to easily provide data for: (i) predictions for uniform matter (from microscopic or phenomenological approaches); (ii) correlation among nuclear properties induced by experimental and theoretical constraints; (iii) measurements for finite nuclei (nuclear chart, charge radii, neutron skins or nuclear incompressibilities, etc.) and hypernuclei (single particle energies); and (iv) astrophysical observations. This toolkit provides data in a unified format for easy comparison and provides new meta-analysis tools. It will be continuously developed, and we expect contributions from the community in our endeavor.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Deep learning interfacial momentum closures in coarse-mesh CFD two-phase flow simulation using validation data

Multiphase flow phenomena have been widely observed in the industrial applications while it remains a challenging yet unsolved problems. Three-dimensional computational fluid dynamics (CFD) approaches resolve the flow fields on a finer special and temporal scales which can complement the dedicated experimental study. However, closures have to be introduced to reflect the underlying physics in multiphase flow. Among them, the interfacial forces, including drag, lift, turbulent dispersion and wall lubrication forces, play in important role on the bubble’s distribution and migration in liquid-vapor two-phase flow. Development of those closures traditionally rely on the experimental data and analytical derivation with simplified assumptions which usually cannot deliver a universal solution across wide range of flow conditions. In this paper, a data-driven approach, named as Feature Similarity Measurement (FSM), is developed and applied to improve the simulation capability of two-phase flow with coarse-mesh CFD approach. Interfacial momentum transfer in adiabatic bubbly flow serves as the focus of the present study. Both a mature and a simplified set of interfacial closures are taken as the low fidelity data. Experimental data and fine mesh CFD simulations results are adopted as high-fidelity data. Qualitative and quantitative analysis are performed in this paper which reveals that FSM can substantially improve the prediction of coarse mesh CFD model regardless of the choice of interfacial closures and it provides scalability and consistency across discontinuous flow regimes. Furthermore, it demonstrates that data-driven method can aid the multiphase flow modeling by exploring the connections between local physical features and simulation errors.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Computational Fluid Dynamics Simulations of the Transonic Dynamics Tunnel Airstream Oscillator System

This paper presents a Computational Fluid Dynamics (CFD) model of the flow in the NASA Langley Research Center Transonic Dynamics Tunnel (TDT) with the Airstream Oscillator System (AOS) in operation. The TDT is a continuous-flow, closed circuit wind tunnel with a 16- by 16-foot slotted test section with cropped corners. The tunnel was originally built as the 19-ft Pressure Tunnel in 1938, but it was converted to the current transonic tunnel in the 1950s, with capabilities to use either air or heavy gas (R-134a) as the test medium. The TDT was also fitted with an AOS which can be used to create a gust field in the test section. To date, no computational analyses of the TDT involving the AOS have been performed. In this study, experimental data acquired of an oscillating airstream in the tunnel will be used to calibrate the computational analyses. A significant motivation of this work is to attempt to compare computational gust velocities to those recorded in the TDT literature. In addition to a validation of this model with experimental data, it may also be possible to supplement the experimental data with computational data. The experimental data is rather sparse and at only a few Mach numbers. Computational results may be able to expand the AOS data set. Another motivation for this work is that the Integrated Adaptive Wing Technology Maturation (IAWTM) semi-span model of the high-aspect-ratio CRM with 10 trailing edge control surfaces is currently being fabricated and will be delivered to the NASA Langley Transonic Dynamics Tunnel (TDT) for testing in late 2020. Among tests to be conducted, gust load alleviation (GLA) will be demonstrated at transonic conditions using the AOS.

Computational Fluid Dynamics↗

DOE OSTI2021

SPRUCE Outflow Chemistry Data for Experimental Plots Beginning in 2016

This data set includes the chemistry of outflow waters in the SPRUCE experiment plots located in the S1 bog of the USDA Forest Service Marcell Experimental Forest (MEF) in northern Minnesota, 40 km north of Grand Rapids. These data are post-treatment data from the warming and elevated carbon dioxide (CO2) treatments associated with the SPRUCE experiment. There are ten experimental plots in SPRUCE: five temperature treatments (+0, +2.25, +4.5, +6.75, +9°C) at ambient CO2, and the same five temperature treatments at elevated CO2 (+500 ppm). Sample collection and analyses started in March of 2016 and will continue for the duration of the experiment. Samples were analyzed for pH, specific conductivity, anion concentrations (chloride, sulfate), cation concentrations (calcium, potassium, magnesium, sodium, aluminum, iron, manganese, silicon, strontium), nutrient concentrations (ammonium, nitrate, soluble reactive phosphorus, total nitrogen, total phosphorus), and total organic carbon (TOC) concentrations. Subsets of the samples have been analyzed for natural-abundance stable isotopes of water (δ18O-H2O and δD-H2O), dissolved carbon dioxide (δ13C-CO2), and dissolved methane (δ13C-CH4), and concentrations of total mercury (Thg), methylmercury (MeHg), ferrous iron (Fe2+), ferric iron (Fe3+), dissolved inorganic carbon (DIC), and dissolved methane (CH4).

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1991

Thermoelastic vibration test techniques

The structural integrity of proposed high speed aircraft can be seriously affected by the extremely high surface temperatures and large temperature gradients throughout the vehicle's structure. Variations in the structure's elastic characteristics as a result of thermal effects can be observed by changes in vibration frequency, damping, and mode shape. Analysis codes that predict these changes must be correlated and verified with experimental data. The experimental modal test techniques and procedures used to conduct uniform, nonuniform, and transient thermoelastic vibration tests are presented. Experimental setup and elevated temperature instrumentation considerations are also discussed. Modal data for a 12 by 50 inch aluminum plate heated to a temperature of 475 F are presented. These data show the effect of heat on the plate's modal characteristics. The results indicated that frequency decreased, damping increased, and mode shape remained unchanged as the temperature of the plate was increased.

Kehoe, Michael W.↗