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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7

Self-Consistent Simulation of the Excitation of Compressional Alfvén Eigenmodes and Runaway Electron Diffusion in Tokamak Disruptions

Alfvénic modes in the current quench (CQ) stage of the tokamak disruption have been observed in experiments. In DIII-D the excitation of these modes is associated with the presence of high-energy runaway electrons (REs), and a strong mode excitation is often associated with the failure of RE plateau formation. In this work we present results of self-consistent kinetic-MHD simulations of RE-driven compressional Alfvén eigenmodes (CAEs) in DIII-D disruption scenarios, providing an explanation of the CQ modes. Simulation results reveal that high energy trapped REs can have resonance with the Alfvén mode through their toroidal precession motion, and the resonance frequency is proportional to the energy of REs. The mode frequencies and their relationship with the RE energy are consistent with experimental observations. Further, the perturbed magnetic fields from the modes can lead to spatial diffusion of REs including the nonresonant passing ones, thus providing the theoretical basis for a potential approach for RE mitigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Zonal magnetic fields regulate nonlinear edge-localized-mode dynamics via self-consistent force balance

Edge-localized modes (ELMs) eject intense bursts of heat and particles that threaten plasma-facing components in fusion reactors. Nonlinear full-torus BOUT++ simulations show that turbulence-driven zonal magnetic fields (ZMFs) play an essential role in nonlinear ELM evolution by maintaining self-consistent force balance. Zonal flows mitigate the initial crash through shear but do not prevent continued radial transport. When ZMFs are self-consistently included, turbulence-driven zonal currents modify the parallel current distribution and magnetic tension and are associated with a reduction of the axisymmetric (𝑛 = 0) perturbed radial force imbalance. This coincides with a transition from convective, bursty propagation to more localized, diffusive transport. Similar behavior is observed across the regimes considered, including both resistive-ballooning and peeling-ballooning cases. Finally, associated signatures, including radial electric field shear and parallel current redistribution, provide experimentally accessible diagnostics for present devices and ITER-relevant conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-Label Classification with Constraint-Based Learning for Hierarchical Consistency

We explore the limitations of traditional crossentropy loss in a hierarchical multi-label classification setting and introduce a novel loss function. This function is designed to integrate hierarchical constraints directly into the training process. By incorporating such constraints into the loss, our approach slightly improves the logical consistency of predictions in structured domains. We demonstrate the efficacy of our approach through experiments on primary site and histology classification by using electronic pathology reports. These results show that our proposed hierarchical loss function enhances the model's ability to produce predictions that are logically consistent with the natural data hierarchies, and it slightly improves predictive accuracy. Our framework may be extended to other hierarchical domains, however the performance gains are context specific.

Shivanna, Abhishek [ORNL] (ORCID:0009000665228593)↗

UVCGAN: UNet Vision Transformer cycle-consistent GAN for unpaired image-to-image translation

Unpaired image-to-image translation has broad applications in art, design, and scientific simulations. One early breakthrough was CycleGAN that emphasizes one-to-one mappings between two unpaired image domains via generative-adversarial networks (GAN) coupled with the cycle-consistency constraint, while more recent works promote one-to-many mapping to boost diversity of the translated images. Motivated by scientific simulation and one-to-one needs, this work revisits the classic CycleGAN framework and boosts its performance to outperform more contemporary models without relaxing the cycle-consistency constraint. To achieve this, we equip the generator with a Vision Transformer (ViT) and employ necessary training and regularization techniques. Compared to previous best-performing models, our model performs better and retains a strong correlation between the original and translated image. An accompanying ablation study shows that both the gradient penalty and self-supervised pre-training are crucial to the improvement. To promote reproducibility and open science, the source code, hyperparameter configurations, and pre-trained model are available at https: //github.com/LS4GAN/uvcgan.

97 MATHEMATICS AND COMPUTING↗

A Systematic Comparison for Consistent Scenario Development Using Microscopic Simulation Software

This study aims to explore a methodology that enables the development of consistent traffic micro simulation for emerging traffic and vehicle control technologies for improved mobility and energy efficiency across different modeling platforms. Researchers might study the same application on different platforms and have the need to benchmark across platforms. However, there lacks a systematic study on simulation software comparison, especially for emerging mobility and energy efficiency applications. For this, a systematic scenario development and evaluation approach is presented and demonstrated to compare scenarios generated in different traffic microsimulation platforms. Network-level and vehicle-level trip performance results of the traffic scenario are evaluated in three microscopic simulation platforms - VISSIM, AIMSUN, and SUMO. The results indicate that the network-level performance is consistent among the three software suites except when the demand is high, where the energy consumption performance varies.

Saroj, Abhilasha [ORNL] (ORCID:0000000191178063)↗

Consistency and reproducibility in atomic layer deposition

Atomic layer deposition (ALD) is a thin film synthesis technique that can provide exquisite accuracy and precision in film thickness and composition even on complex, large area substrates. Based on self-limiting surface chemistry, ALD can be insensitive to process conditions and reactor designs, allowing an ALD process developed in one lab to be easily reproduced in other labs. In practice, however, ALD is sometimes difficult to reproduce or replicate, and the results can vary substantially between ALD reactors and between labs. This is exemplified by large deviations in reports on the growth of, e.g., Al2O3, FeOx, and TiO2 given the same precursors under similar conditions. Furthermore, the problem of irreproducibility seems to be growing as ALD is adopted by more researchers and integrated into new applications. In this article, the authors highlight some of the major sources of variations and errors and common misconceptions related to ALD. In particular, the authors focus on issues related to precursors, substrates, and deposition tools. The authors illustrate these problems through examples from the literature, and they present results from numerical simulations that describe how nonidealities would manifest in thickness profiles in a typical cross-flow reactor. They also describe how reproducibility in ALD is linked to consistent experimental practice and reporting between labs. The authors’ hope is that by educating newcomers to ALD and advocating for consistent reporting of deposition conditions, they can minimize irreproducibility and enable ALD practitioners to realize the full potential afforded by self-limiting surface chemistry.

36 MATERIALS SCIENCE↗

Comparative analysis of SARS-CoV-2 neutralization titers reveals consistency between human and animal model serum and across assays

The evolution of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) requires ongoing monitoring to judge the ability of newly arising variants to escape the immune response. A surveillance system necessitates an understanding of differences in neutralization titers measured in different assays and using human and animal serum samples. We compared 18 datasets generated using human, hamster, and mouse serum and six different neutralization assays. Datasets using animal model serum samples showed higher titer magnitudes than datasets using human serum samples in this comparison. Fold change in neutralization of variants compared to ancestral SARS-CoV-2, immunodominance patterns, and antigenic maps were similar among serum samples and assays. Most assays yielded consistent results, except for differences in fold change in cytopathic effect assays. Hamster serum samples were a consistent surrogate for human first-infection serum samples. These results inform the transition of surveillance of SARS-CoV-2 antigenic variation from dependence on human first-infection serum samples to the utilization of serum samples from animal models.

Cell Biology↗

VerifyIO: Verifying Adherence to Parallel I/O Consistency Semantics

VerifyIO is a tool designed for verifying I/O consistency semantics in High-Performance Computing (HPC) applications. It addresses the challenges of ensuring correctness and portability across different I/O consistency models, such as POSIX, Commit, Session, and MPI-IO. By analyzing execution traces, detecting conflicts, and verifying synchronization adherence, VerifyIO provides actionable insights for both application developers and I/O library designers.

Wang, Chen [Lawrence Livermore National Laboratory↗

DES Y3 + KiDS-1000: Consistent cosmology combining cosmic shear surveys

We present a joint cosmic shear analysis of the Dark Energy Survey (DES Y3) and the Kilo-Degree Survey (KiDS-1000) in a collaborative effort between the two survey teams. We find consistent cosmological parameter constraints between DES Y3 and KiDS-1000 which, when combined in a joint-survey analysis, constrain the parameter $S_8 = \sigma_8 \sqrt{\Omega_{\rm m}/0.3}$ with a mean value of $0.790^{+0.018}_{-0.014}$. The mean marginal is lower than the maximum a posteriori estimate, $S_8=0.801$, owing to skewness in the marginal distribution and projection effects in the multi-dimensional parameter space. Our results are consistent with $S_8$ constraints from observations of the cosmic microwave background by Planck, with agreement at the $1.7\sigma$ level. We use a Hybrid analysis pipeline, defined from a mock survey study quantifying the impact of the different analysis choices originally adopted by each survey team. We review intrinsic alignment models, baryon feedback mitigation strategies, priors, samplers and models of the non-linear matter power spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗

Product Consistency Test Results for the LXC-Series Glasses

This report provides chemical analysis of a series of Product Consistency Test (PCT) leachates from simulated nuclear waste glasses. The resulting data will be used in the development of improved property/composition models. For some of the glass leachates, minor scatter among the triplicate values of some analytes was observed. For other leachates, there were more significant differences among the triplicate values. A review of the PCT data noted that there was little difference between the normalized values on the basis of targeted or measured glass composition. Several of the canister centerline cooled study glasses have NC i values that are greater than the Hanford Tank Waste Treatment and Immobilization Plant immobilized low-activity waste constraint of 4 g/L for B and Na. The results of these glasses will help ensure the ability of advanced glass performance models to appropriately predict acceptable compositions. For many of the study glasses, heat treatment had only a marginal impact on the NC i values. The samples of the Environmental Assessment (EA) reference glass included with each PCT set had generally consistent NC i values. The release rates for boron and sodium, and for sodium and silicon were highly correlated for the study glasses, while for the other analytes, less correlation was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Product consistency test results for the LAW Phase 4 gases

In this report, the Savannah River National Laboratory provides chemical analysis of Product Consistency Test (PCT) leachates from a series of simulated nuclear waste glasses fabricated at the Pacific Northwest National Laboratory (PNNL). The series included quenched and canister-centerline cooled (CCC) versions of the glasses. The resulting data will be used in the development of enhanced property/composition models for waste vitrification at Hanford. For some of the glass leachates, minor scatter among the triplicate values of some analytes were observed. For other leachates, there were more significant differences among the triplicate values. A review of the PCT data noted that there was little difference between the normalized values based on targeted or measured glass composition. Several of the study glasses have normalized concentration of element “i” (NCi) values that are greater than the Hanford Tank Waste Treatment and Immobilization Plant immobilized low-activity waste constraint of 4 g/L for boron (B), sodium (Na), and silicon (Si). The results of these glasses will help ensure the ability of advanced glass performance models to appropriately predict acceptable compositions. For the study glasses with NCi values exceeding 4 g/L, the CCC heat treatment samples had generally lower NCi values than quenched samples. The samples of the Environmental Assessment (EA) reference glass included with each PCT set had generally consistent NCi values. The release rates for boron (B), potassium (K), lithium (Li), sodium (Na), and silicon (Si) were highly correlated for the study glasses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Start-to-end self-consistent simulation of the UEM beamline

Addressing the preliminary design review report of the ultrafast electron microscope (UEM), start-to-end self-consistent simulations were carried out to explore fundamental aspects affecting the resolution (space-charge effects, energy spread, shot-to-shot energy jitter, contrast formation, etc.). The electron beam energy spread in the single-shot mode and the effective energy spread in the accumulation mode, equivalent to the convolution of the single-shot energy spread and shot-to-shot energy jitter, have been identified as the ultimate limits of the instrument resolution. A full self-consistent simulation from the photocathode to the detector is being performed using the GPT code to find out what resolution can be achieved. Preliminary results of the start-to-end simulations are reported in this note and the plan of further simulations is presented.

43 PARTICLE ACCELERATORS↗

Product Consistency Test Results for the Environmental Management Headquarters (EMHQ) Low-Activity Waste (LAW) Glasses

This report provides the results of the Product Consistency Test leachates from the Environmental Management Headquarters Low-Activity Waste glasses, a series of simulated nuclear waste glasses designed and fabricated at the Pacific Northwest National Laboratory. The series included quenched versions of the glasses. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. The measured concentrations of the analytes in the test blank samples were below detection limits. The measured concentrations of B, Li, Na, and Si in the Approved Reference Material-1 samples included with the Product Consistency Tests fell within control chart values indicating proper test performance. The measured glass compositions for the study glasses were close to target values: therefore, little difference was seen when evaluating the normalized values using the targeted or measured glass compositions. The $NC_B$, $NC_{Na}$, and $NC_{Si}$ values were less than the Hanford Tank Waste Treatment and Immobilization Plant low-activity waste constraint of 4 g/L for all glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Correcting the PFNS for more consistent fission modeling

For FY20, we had a deliverable to write a report detailing efforts to simultaneously evaluate both the prompt neutron multiplicity, $\overline{ν}$, and the prompt neutron fission neutron spectrum, PFNS, using CGMF. CGMF is the LANL-developed fission fragment decay code that consistently evaporates prompt neutrons and γ rays using the Hauser-Feshbach statistical theory of compound reactions. The decay begins by constructing the initial conditions of the fission fragments, then decaying each one from the excited state by neutrons and γ rays, conserving energy, momentum, spin, and parity in each step of the emission. The initial conditions of the fragments, along with the multiplicity, energy, and direction of each emitted neutron or γ ray, are recorded, allowing for the full reconstruction of the fission event. These event histories allow us to reconstruct average quantities, as well as correlations between observables, that can be compared with experimental or evaluated data. In that initial report, although there was already a favorable comparison between $\overline{ν}$ from CGMF, experiment, and the current ENDF/B-VIII.0 evaluation, we showed that there was still significant work to be done to improve the PFNS from CGMF. Historically, the PFNS is calculated too soft by Hauser-Feshbach fission models, and CGMF is no exception. The incorrect shape presents a significant challenge in fission modeling, including for our understanding of the fission process and for our ability to consistently calculate and predict a variety of prompt fission observables (such as fission fragment initial conditions, neutron and γ-ray multiplicities and energies, and the correlations between all observables). In our companion report, we detail our success in using CGMF to evaluate $\overline{ν}$. Although not included in the optimization explicitly, we also keep the initial conditions of the fission fragments physical, along with reproducing reasonably well the neutron multiplicity distribution. As we would expect from the sensitivities calculations from, the average neutron energies change very little from the $\overline{ν}$ optimization along with the PFNS (as will be shown in Sec. 2.6). The conclusion was that the global and statistical models would have to be investigated instead of just the fission fragment initial conditions (as is sufficient for $\overline{ν}$). This report details those efforts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Rossi-α Measurements on a System Consisting of Weapons Grade Plutonium Moderated by Polyethylene [Poster]

A series of experiments nicknamed "TEX," standing for Thermal-Epithermal eXperiments, were performed at the National Criticality Experiments Research Center (NCERC) on the Planet critical assembly. The TEX experiment campaigns are a collaboration between Los Alamos National Laboratory (LANL) and Lawrence Livermore National Laboratory (LLNL) and funded by the Nuclear Criticality Safety Program (NCSP). The TEX experiment consists of several campaigns; this work specifically discusses measurements made on one series of TEX experiments designed to examine the thermal scattering law (TSL) for polyethylene. This series consisted of two different critical configurations which contain plutonium fuel. The plutonium plates are 2 in. by 3 in. by 0.125 in. Zero Power Physics Reactor (ZPPR) plates and are placed in a tray in an array of 6 plates by 4 plates wide creating a 12 in. by 12 in. square. These trays of plutonium are interleaved between polyethylene plates. These measurements differ from previous TEX experiments in that they examine a more thermal neutron spectrum than previously examined by interleaving much thicker interstitial moderating plates than the previous measurements. The two configurations differ in the thickness of polyethylene between the fissile material. While the experiment was designed to examine the TSL, this work only examines the results of Rossi-α measurements on the two different configurations. For both configurations, Rossi-α measurements were performed to experimentally validate the neutron spectrum.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Consistent Evaluation of the Prompt-fission Neutron Spectrum and Multiplicity for n+ 235,238 U and n+ 239 Pu

This report was written to satisfy a FY20 NCSP milestone on 235,238 U and 239 Pu. The milestone requires to “finalize a report assessing our methodology to evaluate prompt-fission neutron spectrum (PFNS) and multiplicity consistently”. More specifically, we study whether the code CGMF can reproduce ENDF/B-VIII.0 evaluated PFNS and average prompt-fission neutron multiplicities, $\bar{v}$, for 235,238 U and 239 Pu using one joint parameter set per isotope. If CGMF is shown to be able to reasonably reproduce ENDF/B-VIII.0 within its model-parameter space, this code could be used for future consistent evaluations of PFNS and $\bar{v}$. To answer this question, we explore here the parameter space of CGMF and its impact on calculated values and whether they are close to evaluated and experimental data. We also list experimental data that would enter a future evaluation and statistics method that could be used to obtain evaluated data and covariances. We conclude that values of $\bar{v}$ calculated by CGMF are reasonably close to ENDF/B-VIII.0 data, while more work on modeling the PFNS is needed (parameter optimization and model improvements) to reliably use it for evaluations.

07 ISOTOPE AND RADIATION SOURCES↗

Simple self-consistent method for excited states in density functional theory to characterize defect-derived behavior in wide-band-gap-based microelectronic materials

This final report summarizes the results of the Laboratory Direct Research and Development (LDRD) Project Number 229740. Wide band gap semiconductors such as gallium nitride (GaN) have features highly desirable for multiple mission electronic applications. Realization of their potential requires atomic-scale understanding of electronic behavior. The principal experimental tools for electronically probing defects in GaN are chemically undifferentiating and lack a practical theoretical counterpart needed to identify and characterize specific defects. This project investigated whether a simple idea for modeling defect excited states and their associated photoluminescence (PL) energies is viable, as a path to accelerate the understanding of defect behavior and gain valuable insights into engineering new electronic materials and devices. The research implemented a non-self-consistent total-energy evaluation of a Koopmans-type estimation of an excited electronic state energy in density functional theory (DFT) calculations, and proceeded to design, implement, and assess a self-consistent method for computing excited states based upon an OCcupation-Constrained-DFT (occ-DFT). The occ-DFT was verified in test calculations of defect excited states and validated against well-characterized PL data for 3d transition metal defects in GaN. The method proved stable and robust in computing excited states and gave accurate predictions compared to experimental PL data. The combined ground state/excited-state capability proved capable of chemically differentiating defect species in GaN. In application to 3d dopants in GaN, we reinterpreted extensive experimental literature, proposed new defects as prospective candidates for use in quantum information applications, and outlined design strategies to create and exploit these potentially useful functional defects in GaN.

36 MATERIALS SCIENCE↗

Consistent $\overline{ν}$ evaluation for minor U isotopes with $\tt{CGMF}$

Following several successful prompt $\overline{ν}$ evaluations using $\tt{CGMF}$, including consistent evaluations for minor Pu isotopes, we detail in this report our efforts to perform a consistent $\overline{ν}$ evaluation for minor U isotopes during FY25. Although we have not yet produced a finalized evaluation, we present the progress that we have made towards such an evaluation for 232,233,234,236,237,239 U prompt $\overline{ν}$. Our milestone explicitly calls out evaluations for 233 U, 234 U, and 236 U, however, to better constrain the model with reliable experimental $\overline{ν}$ data, we also include 235 U and 238 U in the evaluation procedure. Then, we additionally produce evaluations for 232 U, 237 U and 239 U $\overline{ν}$ as a byproduct. Elsewhere, we will report our efforts on a stand-alone 233 U $\overline{ν}$ evaluation. This report is organized in the following manner. In Sec. 2, we briefly outline the updates to CGMF that were needed to be able to calculate all of these minor U fission reactions. The experimental data overview is given in Sec. 3. The evaluation methodology and results are presented in Secs. 4 and 5, respectively. Finally, we conclude and outline work for FY26 in Sec. 6.

07 ISOTOPE AND RADIATION SOURCES↗