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At least 127 records · Page 7

Thermal Ratcheting Analysis of TEDS Packed-bed Thermocline Energy Storage Tank - Modeling Methodology and Data Validation

This report investigates numerical modeling methods for thermal ratcheting analysis of packed-bed thermal energy storage (TES) tank and discusses the validation results via comparison with experimental data. The experimental data obtained from various design characteristics of packed-bed thermocline tanks, including the Thermal Energy Distribution System (TEDS) TES tank at Idaho National Laboratory (INL), were used to validate thermal and mechanical models developed in this study to evaluate the thermal ratcheting potential. The thermal model was shown to predict the transient thermal propagation through the packed-bed thermocline tanks generally well. However, a larger discrepancy was observed during the comparison with the data from TEDS, presumably due to the uncertainty of boundary conditions given from the experiment. Based on the comparative study between the thermal model predictions and experimental data of various packed-bed thermocline tanks, potential improvements were suggested for the future TEDS experiments for more precise validation study. For mechanical (thermally induced stress) analysis, two different modeling approaches were tested to evaluate hoop stress applied to the packed-bed TES tank wall, which is a major cause of thermal ratcheting process: (i) infinite rigidity model and (ii) Drucker-Prager (DP) model. The ‘model (i)’ is a conservative method with infinite rigidity assumption of granular filler inside a TES tank, whereas the ‘model (ii)’ is a method that takes into account more realistic processes such as thermal expansion of filler and tank wall as well as inter-particle interactions during the cyclic operation of a packed-bed TES tank. The validity of each modeling method was examined by comparing the numerical simulation with the experimental data obtained from the packed-bed TES tank for Solar One pilot plant. Then, the effects of various model parameters were discussed to evaluate the thermal ratcheting potential of the TEDS TES tank. The preliminary thermal ratcheting analysis implies that the TEDS TES tank will hold its structural integrity during the normal operation cycles.

25 ENERGY STORAGE↗

PNNL Soil Microbiome SFA

PNNL's Soil Microbiome Science Focus Area (SFA) is focused on understanding the basic biology underpinning how interactions among various soil microbial community members, across trophic levels, lead to the emergence of community functions. Moisture, in particular, drives microbial interactions and influences everything from cell function to substrate fate within soils. The group predicts this results in repeatable, predictable phenotypes. The sum of these phenotypes comprises the “soil metaphenome”. Understanding how the soil metaphenome shifts in response to moisture will provide a basis for modeling and predicting these shifts in reaction network responses. PNNL’s Soil Microbiome SFA project repository on DataHub allows for exploring and downloading integrated experimental omics data, experimental metadata, pre- and post-processed data files, and other associated materials directly related to experimental project publication data. Visit the PNNL Soil Microbiome Science Focus Area Program homepage for more information.

54 ENVIRONMENTAL SCIENCES↗

Photo- and Electro-Induced Hadron Production from Nuclei at Jefferson Laboratory

Understanding many-body knockout processes is crucial for nuclear physics, particularly in photo- and electro-induced reactions. In turn, understanding two- and three-body forces, including higher-order forces, is vital for a complete understanding of atoms. We present photo-induced many-proton knockout processes, with multiplicities from 1 to 6, using 12C, CH2, and C4H9OH targets in the g9a FROST dataset. Our analysis covers photon energies from 600 to 4500 MeV, significantly expanding current world data. Comparing our experimental data to the state-of-the-art GiBUU model offers a new challenge in the model’s theoretical description of many-body processes. GiBUU reasonably describes the data at lower photon energies but struggles at higher energies and missing masses, likely due to missing processes, such as initial 3-pion photoproduction. Our results will inform future developments in describing proton knockout processes, indicating GiBUU’s overall reasonable description of many-proton knockout data up to around 2.2 GeV. We also assess various electro-induced reactions using 2D, 12C, and 40Ar targets in the RGM dataset. Our results, obtained at electron beam energies of 2, 4, and 6 GeV, are compared in detail to GENIE and GiBUU, two widely used theory models in neutrino oscillation experiments. Discrepancies between model predictions and experimental data underscore the need for refining the two theoretical models. Despite discrepancies, GiBUU provides a more accurate modelling of electro-induced reactions, especially for 40Ar - crucial for future neutrino oscillation facilities such as DUNE. Understanding the fundamental nuclear physics involved in neutrino-nuclei interactions is essential for reducing the systematic uncertainties in extracting neutrino oscillation parameters. Many-body processes significantly contribute to the background processes observed in neutrino-nuclei interactions, hence the results from both analyses are crucial for developing the theoretical framework for the underlying nuclear physics.

Williams, Rhidian↗

Novel Technique for Developing Linearized Convex System Models from Experimentally Derived Data

This paper presents a novel technique for generating a convex system model from an experimentally derived data set which features variance among repeated measurements. The convex system model developed as a test case characterizes the dynamic system losses of a vanadium redox flow battery as a function of the active power output and the battery state of charge. The technique hinges on a pre-cleaning via clustering procedure which precedes the formation of a planar convex hull comprised of triangular simplices. The clustering procedure efficiently reduces the experimental data set while mitigating variance among repeated measurements and removes outliers. Ultimately, the lower evelope of the planar convex hull serves as the desired convex system model. The proposed technique reduces systematic model error which is otherwise present when directly developing a planar convex hull model based on an unreduced data set.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Consistent Nuclear Data Evaluations for Criticality Safety

Evaluations of nuclear data are based on statistical analysis of available experimental data and their uncertainties plus model calculations and their uncertainties. As the models are currently rather limited, the evaluations are heavily biassed toward experimental data, with the caveat that a thorough analysis is also required to understand possible discrepancies between data sets. Hence, as new experimental data become available, they are incorporated into the evaluation procedure. Recent measurements of the 233 U capture to fission cross section ratio at the Los Alamos Neutron Science Center have prompted a re-evaluation of the capture cross section in the resonance and fast regions up to 250 keV. We will discuss the challenges of including the new fast neutron experimental data in an evaluation that is consistent with the resonance region. We will also discuss our consistent evaluation procedure based on the Hauser-Feshbach statistical model for nuclear reactions and its application to the evaluations of 239 Pu and 139 La neutron-induced reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Learning to simulate high energy particle collisions from unlabeled data

In many scientific fields which rely on statistical inference, simulations are often used to map from theoretical models to experimental data, allowing scientists to test model predictions against experimental results. Experimental data is often reconstructed from indirect measurements causing the aggregate transformation from theoretical models to experimental data to be poorly-described analytically. Instead, numerical simulations are used at great computational cost. We introduce Optimal-Transport-based Unfolding and Simulation (OTUS), a fast simulator based on unsupervised machine-learning that is capable of predicting experimental data from theoretical models. Without the aid of current simulation information, OTUS trains a probabilistic autoencoder to transform directly between theoretical models and experimental data. Identifying the probabilistic autoencoder’s latent space with the space of theoretical models causes the decoder network to become a fast, predictive simulator with the potential to replace current, computationally-costly simulators. Here, we provide proof-of-principle results on two particle physics examples, Z-boson and top-quark decays, but stress that OTUS can be widely applied to other fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Application of Refractory High-Entropy Alloys for Higher-Reliability and Higher-Efficiency Brayton Cycles and Advanced Nuclear Reactors

An exceptional set of newly-discovered advanced superalloys known as refractory high-entropy alloys (RHEAs) can provide near-term solutions for wear, erosion, corrosion, high-temperature strength, creep, and radiation issues associated with supercritical carbon dioxide (sCO2) Brayton Cycles and advanced nuclear reactors. In particular, these superalloys can significantly extend their durability, reliability, and thermal efficiency, thereby making them more cost-competitive, safer, and reliable. For this project, it was endeavored to manufacture and test certain RHEAs, to solve technical issues impacting the Brayton Cycle and advanced nuclear reactors. This was achieved by leveraging Sandia’s patents, technical advances, and previous experience working with RHEAs. Herein, three RHEA manufacturing methods were applied: laser engineered net shaping, spark plasma sintering, and spray coating. Two promising RHEAs were selected, HfNbTaZr and MoNbTaVW. To demonstrate their performance, erosion, structural, radiation, and hightemperature experiments were conducted on the RHEAs, stainless steel (SS) 316 L, SS 1020, and Inconel 718 test coupons, as well as bench-top components. The experimental data is presented, analyzed, and confirms the superior performance of the HfNbTaZr and MoNbTaVW RHEAs vs. SS 316 L, SS 1020, and Inconel 718. In addition, to gain more insights for larger-scale RHEA applications, the erosion and structural capabilities for the two RHEAs were simulated and compared with the experimental data. The experimental data confirm the superior performance of the HfNbTaZr and MoNbTaVW RHEAs vs. SS and Inconel. Most importantly, the erosion and the coating material experimental data show that erosion in sCO2 Brayton Cycles can be eliminated completely if RHEAs are used. The experimental suite and validations confirm that HfNbTaZr is suitable for harsh environments that do not include nuclear radiation, while MoNbTaVW is suitable for harsh environments that include radiation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Open Source Platform for Live Processing of High Data Rate Electron Microscopy (SBIR Phase I Award Topic 15, Subtopic B, Final Scientific / Technical Report)

4D scanning transmission electron microscopy (STEM) is experiencing a revolution both in terms of data size, and data veracity, as are many other areas of experimental data acquisition. This presents enormous opportunities to make new scientific discoveries, but is also hamstrung by aging software that is no longer fit for purpose. Experimental data acquisition platforms must make the same investments in software infrastructure that the simulation community made decades ago to take advantage of high-performance computing (HPC) if they hope to realize the full potential of the latest advances made in detector technology. This requires rethinking the design and deployment of hardware, moving away from small, fixed commodity computing capabilities with closed interfaces to open, modular, scalable systems designed for parallelism and throughput. The technical approach will leverage best-in-class open source technologies, and develop new approaches strategically to build an open source platform for experimental data acquisition targeting high data rate electron microscopy. The project will develop a software platform that uses the power and performance of modern HPC resources to ingest the large volume of data produced by electron microscopes using direct electron detectors. A set of configurable pipelines will be used to enable the processing to be tailored to the problem being investigated with builtin visualization of data at interactive rates. This project will leverage investments made by the DOE and other agencies to provide a powerful software platform for the experimental data community working with most powerful electron microscopes, such as 4D STEM detectors. It will create a platform that serves as a reference for the community. Permissive open source licensing will make the platform available to all, with a simple deployment strategy offering the ability to keep data close to where it is generated. This advanced software platform will require customization for each deployment, creating opportunities for software services that are typically offered to extend open source software platforms.

97 MATHEMATICS AND COMPUTING↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗