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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Microscopic predictions for the production of neutron-rich nuclei in the reaction Yb 176 + Yb 176

Background: Production of neutron-rich nuclei is of vital importance to both understanding nuclear structure far from stability and to informing astrophysical models of the rapid neutron capture process (r-process). Multinucleon transfer (MNT) in heavy-ion collisions offers a possibility to produce neutron-rich nuclei far from stability. Purpose: The 176 Yb + 176 Yb reaction has been suggested as a potential candidate to explore the neutron-rich region surrounding the principal fragments. The current study has been conducted with the goal of providing guidance for future experiments wishing to study this (or similar) system. Methods: Time-dependent Hartree-Fock (TDHF) and its time-dependent random-phase approximation (TDRPA) extension are used to examine both scattering and MNT characteristics in 176 Yb + 176 Yb. TDRPA calculations are performed to compute fluctuations and correlations of the neutron and proton numbers, allowing for estimates of primary fragment production probabilities. Results: Both scattering results from TDHF and transfer results from the TDRPA are presented for different energies, orvientations, and impact parameters. In addition to fragment composition, scattering angles and total kinetic energies, as well as correlations between these observables are presented. Conclusions: 176 Yb + 176 Yb appears to be an interesting probe for the midmass neutron-rich region of the chart of nuclides. Lastly, the predictions of both TDHF and TDRPA are speculative, and will benefit from future experimental results to test the validity of this approach to studying MNT in heavy, symmetric collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Influence of nonstatistical properties in nuclear structure on emission of prompt fission neutrons

We report the Hauser-Feshbach fission-fragment decay (HF 3 D) model is extended to calculate the prompt fission neutron spectrum (PFNS) for the thermal-neutron-induced fission on 235 U, where the evaporated neutrons from all possible fission-fragment pairs are aggregated. By studying model parameter sensitivities on the calculated PFNS as well as nonstatistical behavior of low-lying discrete level spin distribution, we conclude that discrepancies between the aggregation calculation and the experimental PFNS seen at higher neutron emission energies can be attributed to both the primary fission-fragment yield distribution and the possible high spin states that are not predicted by the statistical theory of nuclear structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Theoretical description of fission yields: Toward a fast and efficient global model

A recently proposed approach to global modeling of fission fragment distributions is extended to account for odd-even staggering in charge yields and for neutron evaporation. We show that the proposed hybrid model can reproduce experimental mass and charge fragment yields, including the odd-even staggering for a wide range of fissioning nuclei. Experimental isotopic yields can be described within a simple neutron evaporation scheme. Here, we also explore fission fragment distributions of exotic neutron-rich and superheavy systems and compare our predictions with other state-of-the art global calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Clustering of electromagnetic showers and particle interactions with graph neural networks in liquid argon time projection chambers

Liquid argon time projection chambers (LArTPCs) are a class of detectors that produce high resolution images of charged particles within their sensitive volume. In these images, the clustering of distinct particles into superstructures is of central importance to the current and future neutrino physics program. Electromagnetic (EM) activity typically exhibits spatially detached fragments of varying morphology and orientation that are challenging to efficiently assemble using traditional algorithms. Similarly, particles that are spatially removed from each other in the detector may originate from a common interaction. Graph neural networks (GNNs) were developed in recent years to find correlations between objects embedded in an arbitrary space. The graph particle aggregator (GrapPA) first leverages GNNs to predict the adjacency matrix of EM shower fragments and to identify the origin of showers, i.e., primary fragments. On the PILArNet public LArTPC simulation dataset, the algorithm achieves a shower clustering accuracy characterized by a mean purity of 99.4%, a mean efficiency of 99.6% and a primary identification accuracy of 99.8%. It yields a relative shower energy uncertainty of (4.1 + 1.4 / $\sqrt{\text{E(GeV)})}$% and a shower direction uncertainty of (2.1/ $\sqrt{\text{E(GeV)})}$°. Finally, the optimized algorithm is then applied to the related task of clustering particle instances into interactions and yields a mean purity of 99.8% and a mean efficiency of 99.5% for an interaction density of $\mathcal{O}(1)$ m –3 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Measurement of the fraction of jet longitudinal momentum carried by Λ c + baryons in p p collisions

Recent measurements of charm-baryon production in hadronic collisions have questioned the universality of charm-quark fragmentation across different collision systems. In this work the fragmentation of charm quarks into charm baryons is probed, by presenting the first measurement of the longitudinal jet momentum fraction carried by Λ c + baryons, z ∥ ch , in hadronic collisions. The results are obtained in proton-proton ( p p ) collisions at s = 13 TeV at the LHC, with Λ c + baryons and charged (track-based) jets reconstructed in the transverse momentum intervals of 3 ≤ p T Λ c + < 15 GeV / c and 7 ≤ p T jet ch < 15 GeV / c , respectively. The z ∥ ch distribution is compared to a measurement of D 0 -tagged charged jets in p p collisions as well as to 8 simulations. The data hints that the fragmentation of charm quarks into charm baryons is softer with respect to charm mesons, in the measured kinematic interval, as predicted by hadronization models which include color correlations beyond leading-color in the string formation. © 2024 CERN, for the ALICE Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Movement of Cracked Silicon Solar Cells During Module Temperature Changes

Cracks in crystalline silicon solar cells can lead to substantial power loss. While the cells' metal contacts can initially bridge these cracks and maintain electrical connections, the bridges are damaged by mechanical loads, including those due to temperature changes. We investigated the metallization bridges that form over cracks in encapsulated silicon solar cells. Microscopic characterization showed that the crack in the silicon can immediately propagate through the metal grid, but the grid can maintain electrical contact once the load is removed. We also quantified the movement of the cell fragments separated by a crack as a function of temperature. Cell fragments are free to move diagonally and to rotate, so the change in gap across the crack during a temperature change varies along the length of the crack. In one sample, we showed that a 10 degrees C temperature change, causing a 2 um increase in the separation of cell fragments, was sufficient to cause a reversible electrical disconnection of metallization bridging a crack.

14 SOLAR ENERGY↗
DOE OSTI2024

Modifications to the JET Shattered Pellet Injector to Optimize Disruption Mitigation Experiments for Supporting ITER’s DMS Design

Shattered pellet injection (SPI) experiments on Joint European Torus (JET) are an important element in determining the physics basis for mitigating disruptions in ITER. Here, the initial design of the JET SPI system included three barrels to produce pellets with diameters of 4.5, 8.1, and 12.5 mm. The variability of the pellet speed by operating with and without a mechanical punch was limited and led to poor pellet integrity, so the mechanical punch was removed. Fragment size distribution is a function of pellet speed and the desire to change the resulting fragment size distribution was not originally a requirement. After the first set of SPI experiments on JET, different pellet sizes were considered to enable dual injection experiments with identical pellet diameters. It was also determined that speed control is necessary to improve experimental repeatability and to determine how the fragment size distribution impacts mitigation performance. Two barrels were fabricated to form pellets of 10 mm diameter and a third to form an 8.1 mm diameter pellet. New propellant valves were also fabricated and characterized to improve repeatability and overall performance. To have fine control of pellet speed, inserts to reduce the breech volume were fabricated and installed. Laboratory testing was conducted to ensure pellet release and provide a comparison of propellant gas delivered versus pellet speeds for a range of pellet types and mixtures. This article will also discuss how lessons learned from the JET SPI modifications can be applied to other SPI systems, such as the ITER SPI system, as controlling pellet release with the least amount of propellant gas is essential for optimal SPI effectiveness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Peculiarities of CsPbBr3 perovskites melting in quasi-equilibrium conditions

The melting behavior of CsPbBr3 perovskite was studied by differential thermal analysis (DTA). It was found that melting of CsPbBr3 occurs non-isothermally in the temperature range of 561-570 °C. From the temperature dependence of the solid-phase melting rate, it was established that at 567±1 °C the change in the mechanism of the solid-phase melting goes from fragmentation to dissolution at the surface. The obtained values of the activation energy of the melting of the solid phase in CsPbBr3 show that the activation energy of the dissolution of the solid-phase fragments is 4 times greater than the energy of the fragmentation of the solid phase.

Kopach, O.↗
DOE OSTI2023

Time-resolving state-specific molecular dissociation with XUV broadband absorption spectroscopy

The electronic and nuclear dynamics inside molecules are essential for chemical reactions, where different pathways typically unfold on ultrafast timescales. Extreme ultraviolet (XUV) light pulses generated by free-electron lasers (FELs) allow atomic-site and electronic-state selectivity, triggering specific molecular dynamics while providing femtosecond resolution. Yet, time-resolved experiments are either blind to neutral fragments or limited by the spectral bandwidth of FEL pulses. Here, we combine a broadband XUV probe pulse from high-order harmonic generation with an FEL pump pulse to observe dissociation pathways leading to fragments in different quantum states. We temporally resolve the dissociation of a specific O 2 + state into two competing channels by measuring the resonances of ionic and neutral fragments. This scheme can be applied to investigate convoluted dynamics in larger molecules relevant to diverse science fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Visualizing the strong field–induced molecular breakup of C 60 via x-ray diffraction

Laser-driven dynamics in polyatomic molecules poses a complex many-body problem. Understanding intense light-matter interaction is crucial for steering intramolecular quantum dynamical processes. Here, we record time-resolved x-ray diffraction images of C 60 molecules during and after their interaction with intense near-infrared fields, giving direct access to structural changes of the molecules and their fragmentation in real time. Tuning the intensity of the excitation pulses, we uncover a transition from a weak-field regime of excited but stable molecules to a high-field regime dominated by Coulomb explosion. In the transition region, the molecules expand by up to 50% of their initial size within just 140 fs, with major fragmentation only setting in afterward. This work demonstrates that x-ray diffractive imaging is capable of retrieving time-resolved structural information of large molecules reshaped by intense laser fields. Laser-driven fragmentation is a first step toward observing molecular processes modified by laser fields of increasing intensity.

Schnorr, Kirsten [Paul Scherrer Inst. (PSI), Villi↗
DOE OSTI2024

Quantum Circuit Cutting for Classical Shadows

Classical shadow tomography is a sample-efficient technique for characterizing quantum systems and predicting many of their properties. Circuit cutting is a technique for dividing large quantum circuits into smaller fragments that can be executed more robustly using fewer quantum resources. We introduce a divide-and-conquer circuit cutting method for estimating the expectation values of observables using classical shadows. We derive a general formula for making predictions using the classical shadows of circuit fragments from arbitrarily cut circuits and provide the sample complexity analysis for the case when observables factorize across fragments. Then, we numerically show that our divide-and-conquer method outperforms traditional uncut shadow tomography when estimating high-weight observables that act non-trivially on many qubits and discuss the mechanisms for this advantage.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Expected performance of the FOOT experiment

The main objective of the FOOT (FragmentatiOn of Target) experimentis to measure the double differential cross-sections with respect to the kineticenergy and the angle of emission of fragments produced in nuclear interactions withan accuracy of 5%. Measurements will use the inverse kinematics approach to studythe interaction of heavy ions with proton-rich targets and will be performed in twoenergy regions, one up to 400 MeV/u, to assess the effects of nuclear fragmentationin hadrontherapy treatment with proton beams, and up to 700 MeV/u, to improvethe knowledge of the fragmentation of ions on nuclei to help with the design of spacevehicles shielding.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Iterative HOMER with uncertainties

We present iHOMER, an iterative version of the HOMER method to extract Lund fragmentation functions from experimental data. Through iterations, we address the information gap between latent and observable phase spaces and systematically remove bias. To quantify uncertainties on the inferred weights, we use a combination of Bayesian neural networks and uncertainty-aware regression. We find that the combination of iterations and uncertainty quantification produces well-calibrated weights that accurately reproduce the data distribution. A parametric closure test shows that the iteratively learned fragmentation function is compatible with the true fragmentation function.

Butter, Anja [Heidelberg Univ. (Germany); Sorbonne↗
DOE OSTI2021

Using Verified Lifting to Optimize Legacy Stencil Codes (Final Project Report)

This project investigated new techniques for compiling stencil and stencil-like computations. Stencils computations are commonly found in applications such as image processing, physical simulations, image processing, and machine learning. In recent years, many high-performance domain-specific languages (DSLs) have been proposed to optimize stencil computations. To leverage such DSLs, however, existing codes often need to be rewritten. Such rewriting is manual, labor intensive, and error-prone. To alleviate such issues, this project investigated the application of program synthesis and artificial learning techniques to enable stencil computations to automatically leverage new high-performance DSLs. Rather than constructing syntax driven rules, verified lifting uses program synthesis to search for a target code fragment to compile the given input code into. In addition, it also searches for a proof that validates how the found target code fragment preserves the semantics of the original input. Thus, the target code fragment is guaranteed to be semantically equivalent to the input.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Capturing Ultrafast Electron Driven Chemical Reactions in Molecules

The goals of this project are to develop experimental tools to investigate the dynamics of dissociative electron attachment (DEA) reactions in real time. In a DEA reaction, the attachment of a low energy electron to a molecule results in bond breaking and the fragmentation of the molecule. A new instrument has been designed and is under construction to perform time-resolved photoelectron and photo-fragment spectroscopy following electron transfer from an iodide anion to a molecule within a mass-selected molecular dimer. Iodide binds only weakly through the dipole interaction with many polar molecules, and such molecules forming a dimer with iodide undergo only small changes from the equilibrium geometry in isolation. When the electron is transferred from the iodide, the iodine atom is no longer bound, so the electron transfer step can be considered analogous to electron attachment and brings the key advantage of ultrafast timing precision. The experiments proposed here will establish the experimental tools to interrogate the dynamics of dissociative electron attachment on the fundamental timescales of the nuclear motion, by simultaneously probing the valence electronic structure and the fragmentation pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Defining the Minimal Set of Microbial Genes Required for Valorization of Lignin Biomass (Final Report)

Project Goals: Lignin is the second most abundant biopolymer on earth and represents a critically underutilized biomass resource for hydrocarbon feedstocks. Despite substantial effort, there is still no efficient process to convert lignin to useable carbon-based platform chemicals and materials. The goal of this project is identify a minimal set of microbial enzymes necessary for lignin breakdown and sufficient for the synthesis of valuable chemical intermediates from lignin isolated as a byproduct of lignocellulosic ethanol production. These genes will be then used to engineer functional whole cell biocatalysts for tunable lignin metabolism. To date, although a number of enzymes have been associated with lignin degradation, most have been tested in isolation (as individual enzymes) and on drastically different substrates -- often dyes that are not related to lignin. In contrast, lignin utilization in nature likely occurs by microbial consortia with multiple enzymes acting synergistically. We propose to examine two separate stages of lignin breakdown carried out by the microbes that do it best: (1) early breakdown of native polymeric lignin into soluble fragments by a set of sequenced wood-rotting fungal species, and (2) downstream metabolism of these soluble lignin fragments to useful chemical intermediates by a panel of sequenced soil saprophytes. Our approach involves testing sets of genes that will be assayed combinatorially in the context of a heterologous expression host. The resulting engineered strains will be systematically assayed using soluble lignin fragments, synthetic defined polymeric lignin, and finally lignin directly sourced from lignocellulosic processing streams. In addition to resulting in a functional whole cell biocatalyst for lignin utilization, we anticipate that this approach will allow us to address key unanswered questions about lignin metabolism in nature, including: (1) Why does the Trametes versicolor genome contain 25 different class II peroxidases? (2) What is the role of laccases in lignin metabolism? Why do some aggressive lignin degraders have many laccases (e.g. >7 in T. versicolor) while others have none (e.g. P. chrysosporium)? (3) How is peroxide provided in a controlled manner to drive peroxidase activity without causing the enzyme inhibition that is so often observed in vitro? (4) What strategies do microbial lignin degraders use to avoid the problem of repolymerization during active lignin degradation? and (5) Can microbial lignin metabolism be diverted for high level production of defined aromatics? A final critical question is whether combining key minimal sets of enzymes from a wide range of organisms will result in engineered strains capable of highly efficient, streamlined pathways for lignin utilization that can be tuned for a specific carbon output. This effort will leverage DOE investments in microbial genome sequencing, and secure a critical channel for lignin biomass utilization that will also help to render lignocellulosic a viable feedstock for the production of renewable liquid biofuels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Demonstration of new fracture criteria based on micro-structure and compare to empirical model and measurements

The US nuclear industry is currently exploring extending the peak rod average burnup limits above the current regulatory limit of 62 GWd/tU. A potential concern for fuel exceeding the burnup limit is the fragmentation during a temperature transient such as a loss-of-coolant accident (LOCA). In the event of cladding failure, the fragmented fuel could relocate and disperse within the reactor. The potential impact of fuel fragmentation, relocation and dispersal (FFRD) on licensing assumptions for burnup extension has focused a great amount of efforts and research on this topic.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

$\overline{TKE}$ Parameterization and $\bar{v}$ Uncertainty Analysis for CGMF

Previous work was performed on tuning CGMF parameters for 235 U, 238 U, and Plutonium isotopes. Now work is being done to tune minor uranium isotopes. However, uranium isotopes like 232 U and 236 U have almost no experimental data. We are applying cross-isotope models to extrapolate and tune CGMF on isotopes that lack experimental data. There exist several internal CGMF physics quantities that affect the output of CGMF—multi-chance fission probability, excitation energy sharing, spin-cutoff factor, spin scaling, and fragment total kinetic energy to name a few. The mean fragment total kinetic energy, $\overline{TKE}$, is particularly interesting because of its strong anti-correlation with $\bar{v}$. We are most interested in the mean fragment total kinetic energy before neutron emissions. $\overline{TKE}$ is assumed to be pre-neutron emission unless otherwise stated. Currently in CGMF, the $\overline{TKE}$ model for 233,234,235,238 U are tuned independently to reproduce ν for the associated isotopes. In this report, we will tune a cross-isotope $\overline{TKE}$ model to experimental $\overline{TKE}$ data for 232,233,234,235,236,238 U. Because of the unreliable and sparse nature of $\overline{TKE}$ experimental data, future work will use more reliable experimental $\bar{v}$ data to infer the $\overline{TKE}$ model (and likely other internal CGMF parameters) for uranium isotopes. Such work has been performed previously using a sensitivity analysis and Kalman filter methods.

07 ISOTOPE AND RADIATION SOURCES↗