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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Advancing the mechanical integrity and fragmentation behavior of reactive projectiles

A multivariant statistical approach was used to identify treatment conditions that improve the survivability of structural reactive material (SRM) projectiles upon launch and enhance energy release upon impact. The study included both mechanical testing of projectiles as well as their reactive characterization. The projectiles were launched in a high-velocity impact-ignition testing system and impacted an anvil for vented chamber calorimetry. This study examined a link between ultimate compressive stress and combustion performance. Two treatments were applied to consolidated aluminum projectiles including annealing and addition of silica (SiO 2 ) inclusions. Results showed annealing at moderate temperatures resulted in intact SRM projectiles upon launch. Adding small concentrations (1–2 wt. %) of SiO 2 to the SRM promoted fragmentation and combustion performance upon impact. Compared to the untreated projectiles, annealing with SiO 2 inclusion processing treatments improved the energy conversion efficiency from 37–84% (for untreated projectiles) up to 54–98%. In conclusion, increasing interparticle dislocation recovery by annealing while balancing inclusions promoting fragmentation upon impact was the key to optimizing combustion performance for SRM ballistic impact applications.

42 ENGINEERING↗
DOE OSTI2023

2D-imaging of absolute OH and H 2 O 2 profiles in a He–H 2 O nanosecond pulsed dielectric barrier discharge by photo-fragmentation laser-induced fluorescence

We report pulsed dielectric barrier discharges (DBD) in He–H 2 O and He–H 2 O–O 2 mixtures are studied in near atmospheric conditions using temporally and spatially resolved quantitative 2D imaging of the hydroxyl radical (OH) and hydrogen peroxide (H 2 O 2 ). The primary goal was to detect and quantify the production of these strongly oxidative species in water-laden helium discharges in a DBD jet configuration, which is of interest for biomedical applications such as disinfection of surfaces and treatment of biological samples. Hydroxyl profiles are obtained by laser-induced fluorescence (LIF) measurements using 282 nm laser excitation. Hydrogen peroxide profiles are measured by photo-fragmentation LIF (PF-LIF), which involves photo-dissociating H 2 O 2 into OH with a 212.8 nm laser sheet and detecting the OH fragments by LIF. The H 2 O 2 profiles are calibrated by measuring PF-LIF profiles in a reference mixture of He seeded with a known amount of H 2 O 2 . OH profiles are calibrated by measuring OH-radical decay times and comparing these with predictions from a chemical kinetics model. Two different burst discharge modes with five and ten pulses per burst are studied, both with a burst repetition rate of 50 Hz. In both cases, dynamics of OH and H 2 O 2 distributions in the afterglow of the discharge are investigated. Gas temperatures determined from the OH-LIF spectra indicate that gas heating due to the plasma is insignificant. The addition of 5% O 2 in the He admixture decreases the OH densities and increases the H 2 O 2 densities. The increased coupled energy in the ten-pulse discharge increases OH and H 2 O 2 mole fractions, except for the H 2 O 2 in the He–H 2 O–O 2 mixture which is relatively insensitive to the additional pulses.

hydrogen peroxide↗
DOE OSTI2021

Production of the most neutron-deficient Zn isotopes by projectile fragmentation of Kr 78

The cross sections for the production of three most neutron-deficient zinc isotopes, 54–56 Zn, in the projectile fragmentation of 78 Kr at 345 MeV/nucleon on a beryllium target, were measured. Although the results are smaller by over an order of magnitude from those obtained with a 58 Ni beam at 75 MeV/nucleon on a nickel target, the rates of reaction products are found to be larger in the case of high-energy fragmentation of 78 Kr. The experimental cross sections for the most neutron-deficient isotopes of even-Z nuclei between zinc and krypton were analyzed in the framework of the abrasion-ablation model. A very good agreement with the data was found when the nuclear masses predicted by a particular variant of the Hartree-Fock-Bogoliubov mass model were used. The prospects for the observation of more exotic isotopes in this region are discussed in context of 2p radioactivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Production and discovery of neutron-rich isotopes by fragmentation of 198 Pt

Production cross sections were measured for fragments produced by an 85 MeV/u 198 Pt beam incident on a beryllium target. Event-by-event particle identification of A, Z, and q for the reaction products was performed by employing energy loss, time-of-flight, magnetic rigidity, and total kinetic energy measurements. Over 70 nuclei in the Hf-Pt region were identified, including three isotopes first observed in this work: 191,192 Hf and 189 Lu. Due to the existence of multiple charge states between H-like and C-like ions, a new analysis method was introduced, incorporating Monte Carlo calculations of charge state fractions for a given charge state of the projectile residue just after the reaction. For the first time, charge-state probability distribution functions after the reaction have been deduced from experimental data. Furthermore, this study provides insight into how to produce key nuclides near N = 126 and the ability of a fragmentation residue to retain electrons from the primary beam.

190 ≤ A ≤ 219↗
DOE OSTI2023

Invariant-mass spectroscopy in projectile fragmentation reactions

The fragmentation of a projectile into a number of pieces can lead to the creation of many resonances in different nuclei. We discuss application of the invariant-mass method to the products from such reactions to find some of the most exotic resonances located furthest beyond the proton drip line. We show examples from fragmentation of a fast 13 O beam including the production of the newly identified 9 N resonance. In extracting resonance parameters from invariant-mass spectra, accurate estimates of the background from nonresonant prompt protons are needed. These prompt protons are correlated with the resonances due to long-range Coulomb interactions and will suppress events when resonance decay products and the prompt protons have small invariant masses. The shape of this background is especially important in determining the widths of wide resonances typically found at the edge of the chart of nuclides. An event-mixing recipe is proposed to describe this background, where the mixed events have reduced weighting for the smaller invariant masses to account for the effect of the Coulomb final-state interactions. The weighting is based on the measured correlations of heavier hydrogen isotopes with the resonances or the projectile residues. We also show that the relative magnitude of the background can be reduced in some cases by selecting events where the resonance decay products are accompanied by a deuteron or triton cluster. Here, the deuteron and triton clusters are largely not products of resonant decay and thus events with an accompanying cluster are associated with fewer background protons than events without them. The width of the 5/2¯ state in 9 C with the new background prescription was found to be consistent with the value obtained using proton elastic scattering on 8 B. Improved values for the widths of 10 C, 10,11 N, and 12 O resonances were also obtained using the new background prescription.

6 ≤ A ≤ 19↗
DOE OSTI2021

Pulse Energy and Pulse Duration Effects in the Ionization and Fragmentation of Iodomethane by Ultraintense Hard X Rays

The interaction of intense femtosecond x-ray pulses with molecules sensitively depends on the interplay between multiple photoabsorptions, Auger decay, charge rearrangement, and nuclear motion. Here, we report on a combined experimental and theoretical study of the ionization and fragmentation of iodomethane (CH 3 I) by ultraintense (~10 19 W/cm 2 ) x-ray pulses at 8.3 keV, demonstrating how these dynamics depend on the x-ray pulse energy and duration. We show that the timing of multiple ionization steps leading to a particular reaction product and, thus, the product’s final kinetic energy, is determined by the pulse duration rather than the pulse energy or intensity. While the overall degree of ionization is mainly defined by the pulse energy, our measurement reveals that the yield of the fragments with the highest charge states is enhanced for short pulse durations, in contrast to earlier observations for atoms and small molecules in the soft x-ray domain. Finally, we attribute this effect to a decreased charge transfer efficiency at larger internuclear separations, which are reached during longer pulses.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Number Density Interpretation of Dihadron Fragmentation Functions

We present a new quantum field-theoretic definition of fully unintegrated dihadron fragmentation functions (DiFFs) as well as a generalized version for n -hadron fragmentation functions. We demonstrate that this definition allows certain sum rules to be satisfied, making it consistent with a number density interpretation. Moreover, we show how our corresponding so-called extended DiFFs that enter existing phenomenological studies are number densities and also derive their evolution equations. Within this new framework, DiFFs extracted from experimental measurements will have a clear physical meaning. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

High Resolution Fission Fragment Spectroscopy with Superconducting Microcalorimeters

Sub-1 AMU mass determination is important for determining fission yields and neutron multiplicity, which are necessary inputs for fission models. Fission models can improve spent nuclear waste stream analysis and nuclear fuel burnup determination. Here, to achieve this goal, we have used superconducting microcalorimeter detectors to directly measure the energy of fission fragments from the spontaneous fission of 252 Cf. With a fiber coupled LED pulser setup we demonstrate that we can reach a relative energy resolution of 0.1% and better for photon pulses with energies above 60 MeV. This instrument, in conjunction with time-of-flight (TOF) measurement, would allow for sub-1 atomic mass unit (AMU) mass determination of fission fragments in a future beamline application.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Mesoscale Modeling for Restructuring and Fragmentation in High Burnup UO 2

This report summarizes the mesoscale modeling conducted in fiscal year 2025 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, focusing on the microstructural evolution and restructuring in high burnup UO 2 nuclear fuel and its impact on fuel fragmentation. We developed a pioneering phase-field model to simulate restructuring behavior across different regions of high burnup fuel, including the dark zone and rim region. A grand-potential-based phase-field model is employed to concurrently evaluate subgrain formation and the growth of fission gas bubbles within the fuel. An energy-based subgrain formation criterion was introduced to simulate the restructuring process. The effects of temperature and burnup rate were studied to capture how each of these parameters influences the characteristics of the restructured fuel. Subgrain formation was observed to initiate around existing fission gas bubbles and proceed toward triple junctions, grain boundaries, and grain interiors. Under a given subgrain formation rate, the rate of restructuring increases with rising fuel temperature. The restructuring occurs faster with higher burnup rate. A restructuring bias was observed within the microstructure, due to the variation in defect accumulation when comparing different grains. Microstructures corresponding to the dark zone and rim region can be obtained by parameterizing the model with the appropriate defect production rate, as determined based on the burnup rate and temperature. The predicted microstructures are consistent with experimental observations of the restructured regions. Based on the mesoscale simulations, a mechanistic model for restructuring and grain size evolution was implemented in BISON. Thus, this work provides a first-of-its-kind restructuring model for different regions of high-burnup fuel to BISON. It was shown that the model predicts appropriate grain size evolution along fuel radius as those observed in experiments. This model enables BISON to predict the effect of restructuring on the fission gas release. Finally, the phase-field fracture simulation with dark zone specific microstructures were presented to provide the fragmentation criteria for the dark zone. This work introduces a first-of-its-kind restructuring model for high burnup fuel, significantly enhancing BISON's predictive capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Avenues for a number density interpretation of dihadron fragmentation functions

In this letter, we reassess the underlying physics of the number sum rule for dihadron fragmentation functions. We will argue that, currently, there are no settled constraints on what constitutes a valid number density interpretation for multihadron fragmentation functions. Imposing overly restrictive criteria might lead to misinterpretating the data. Most importantly, and on the basis of phenomenological analyses, the slightly varying definitions used in previous work are not excluded from possessing legitimate number density interpretations (up to the usual issues with ultraviolet divergences and renormalization), so long as they are paired with appropriate factorization theorems. We advocate for further theoretical analyses to be challenged with experimental data, available at JLab or at the future EIC.

First principle↗
DOE OSTI2024

CRISPR-Cas9/Cas12a systems for efficient genome editing and large genomic fragment deletions in Aspergillus niger

CRISPR technology has revolutionized fungal genetic engineering by accelerating the pace and expanding the feasible scope of experiments in this field. Among various CRISPR-Cas systems, Cas9 and Cas12a are widely used in genetic and metabolic engineering. In filamentous fungi, both Cas9 and Cas12a have been utilized as CRISPR nucleases. In this work we first compared efficacies and types of genetic edits for CRISPR-Cas9 and -Cas12a systems at the polyketide synthase (albA) gene locus in Aspergillus niger. By employing a tRNA-based gRNA polycistronic cassette, both Cas9 and Cas12a have demonstrated equally remarkable editing efficacy. Cas12a showed potential superiority over Cas9 protein when one gRNA was used for targeting, achieving an editing efficiency of 86.5% compared to 31.7% for Cas9. Moreover, when employing two gRNAs for targeting, both systems achieved up to 100% editing efficiency for single gene editing. In addition, the CRISPR-Cas9 system has been reported to induce large genomic deletions in various species. However, its use for engineering large chromosomal segments deletions in filamentous fungi still requires optimization. Here, we engineered Cas9 and -Cas12a-induced large genomic fragment deletions by targeting various genomic regions of A. niger ranging from 3.5 kb to 40 kb. Our findings demonstrate that targeted engineering of large chromosomal segments can be achieved, with deletions of up to 69.1% efficiency. Furthermore, by targeting a secondary metabolite gene cluster, we show that fragments over 100 kb can be efficiently and specifically deleted using the CRISPR-Cas9 or -Cas12a system. Overall, in this paper, we present an efficient multi-gRNA genome editing system utilizing Cas9 or Cas12a that enables highly efficient targeted editing of genes and large chromosomal regions in A. niger.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Impact Fracture and Fragmentation of Glass via the 3D Combined Finite-Discrete Element Method

A driving technical concern for the automobile industry is their assurance that developed windshield products meet Federal safety standards. Besides conducting innumerable glass breakage experiments, product developers also have the option of utilizing numerical approaches that can provide further insight into glass impact breakage, fracture, and fragmentation. The combined finite-discrete element method (FDEM) is one such tool and was used in this study to investigate 3D impact glass fracture processes. To enable this analysis, a generalized traction-separation model, which defines the constitutive relationship between the traction and separation in FDEM cohesive zone models, was introduced. The mechanical responses of a laminated glass and a glass plate under impact were then analyzed. For laminated glass, an impact fracture process was investigated and results were compared against corresponding experiments. Correspondingly, two glass plate impact fracture patterns, i.e., concentric fractures and radial fractures, were simulated. The results show that for both cases, FDEM simulated fracture processes and fracture patterns are in good agreement with the experimental observations. The work demonstrates that FDEM is an effective tool for modeling of fracture and fragmentation in glass.

42 ENGINEERING↗
DOE OSTI2025

Nuclear Magnetic Resonance ‐based fragment screen of the E3 ligase Fem‐1 homolog B

Abstract Targeted protein degradation using PROTACs (PROteolysis TArgeting Chimeras) has emerged as a transformative therapeutic strategy, largely relying on a small number of E3 ubiquitin ligases such as CRBN and VHL. However, resistance, toxicity, and poor oral bioavailability limit the utility of PROTACs and highlight the need to expand the E3 ligase toolbox. Fem‐1 homolog B (FEM1B) is a lesser‐known E3 ligase that offers a promising alternative due to its broad expression and ability to recognize diverse degron motifs. Here, we describe the development of a stable construct of FEM1B, the results of a protein‐observed NMR‐based fragment screen using this construct, and the X‐ray structures of some of the fragment hits when bound to the protein. From these results, new PROTACs utilizing FEM1B as the E3 ligase may be discovered, providing an alternative E3 ligase for targeted protein degradation.

Katinas, Jade M. [Department of Biochemistry Vande↗
DOE OSTI2025

Experimental and Computational Insights into the Structural Dynamics of the Fc Fragment of IgG1 Subtype from Biosimilar VEGF‐Trap

The constant fragment (Fc) of the immunoglobulin G1 (IgG1) subtype is increasingly recognized as a crucial scaffold in the development of advanced therapeutics due to its enhanced specificity, efficacy, and extended half‐life. A prime example is VEGF‐Trap (Aflibercept), a recombinant fusion protein that merges the Fc region of the IgG1 subtype with the binding domains of vascular endothelial growth factor receptors (VEGFR)‐1 and VEGFR‐2. The Fc region's role in N‐glycosylation is particularly important, as it significantly influences protein stability. Herein, the first near‐physiological temperature structures of the N‐glycan‐bound Fc fragment of IgG1 subtype from a biosimilar VEGF‐Trap are presented, determined using the SPring‐8 Angstrom Compact free electron LAser (SACLA) and the Turkish Light Source (Turkish DeLight). Comparative analysis with cryogenic structures, including existing data, reveals alternate conformations within the glycan‐binding pocket. Furthermore, molecular dynamics simulations indicate the presence of a high degree of structural plasticity, explaining how the protein adapts its structure through conformational changes. The observed structural fluctuations/conformational changes demonstrate the effect of N‐glycans on protein stability. These findings offer new insights into the molecular basis of Fc‐mediated functions and provide valuable information for the design of next‐generation therapeutics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Transverse momentum-dependent heavy-quark fragmentation at next-to-leading order

The transverse momentum-dependent fragmentation functions (TMD FFs) of heavy (bottom and charm) quarks, which we recently introduced, are universal building blocks that enter predictions for a large number of observables involving final-state heavy quarks or hadrons. They enable the extension of fixed-order subtraction schemes to quasi-collinear limits, and are of particular interest in their own right as probes of the nonperturbative dynamics of hadronization. In this paper we calculate all TMD FFs involving heavy quarks and the associated TMD matrix element in heavy-quark effective theory (HQET) to next-to-leading order in the strong interaction. Our results confirm the renormalization properties, large-mass, and small-mass consistency relations predicted in our earlier work. We also derive and confirm a prediction for the large-z behavior of the heavy-quark TMD FF by extending, for the first time, the formalism of joint resummation to capture quark mass effects in heavy-quark fragmentation. Our final results in position space agree with those of a recent calculation by another group that used a highly orthogonal organization of singularities in the intermediate momentum-space steps, providing a strong independent cross check. As an immediate application, we present the complete quark mass dependence of the energy-energy correlator (EEC) in the back-to-back limit at $\mathcal{O}\left({\alpha}_s\right)$.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Nuclear modification factors for jet fragmentation

Using a recently-developed perturbative-QCD approach for jet evolution in a dense quark-gluon plasma, we study the nuclear modification factor for the jet fragmentation function. The qualitative behaviour that we find is in agreement with the respective experimental observations in Pb+Pb collisions at the LHC: a pronounced nuclear enhancement at both ends of the spectrum. Our Monte Carlo simulations are supplemented with analytic estimates which clarify the physical interpretation of the results. The main source of theoretical uncertainty is the sensitivity of our calculations to a low-momentum cutoff which mimics confinement. To reduce this sensitivity, we propose a new observable, which describes the jet fragmentation into subjets and is infrared-and-collinear safe by construction. We present Monte Carlo predictions for the associated nuclear modification factor together with their physical interpretation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Measurement of b -quark fragmentation properties in jets using the decay $B^±$ → $J/ψK^±$ in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

The fragmentation properties of jets containing b-hadrons are studied using charged B mesons in 139 fb -1 of pp collisions at $\sqrt{s}$ = 13 TeV, recorded with the ATLAS detector at the LHC during the period from 2015 to 2018. The B mesons are reconstructed using the decay of B ± into J/ψK ± , with the J/ψ decaying into a pair of muons. Jets are reconstructed using the anti-k t algorithm with radius parameter R = 0.4. The measurement determines the longitudinal and transverse momentum profiles of the reconstructed B hadrons with respect to the axes of the jets to which they are geometrically associated. These distributions are measured in intervals of the jet transverse momentum, ranging from 50 GeV to above 100 GeV. The results are corrected for detector effects and compared with several Monte Carlo predictions using different parton shower and hadronisation models. The results for the longitudinal and transverse profiles provide useful inputs to improve the description of heavy-flavour fragmentation in jets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Charm production and fragmentation fractions at midrapidity in pp collisions at $\sqrt{\textrm{s}}$ = 13 TeV

Measurements of the production cross sections of prompt $D^{0}$, $D^{+}$, $D^{*+}$, $D^{+}_{s}$, $Λ^{+}_{c}$, and $Ξ^{+}_{c}$ charm hadrons at midrapidity in proton-proton collisions at $\sqrt{\textrm{s}}$ = 13 TeV with the ALICE detector are presented. The D-meson cross sections as a function of transverse momentum (p T ) are provided with improved precision and granularity. The ratios of p T -diferential meson production cross sections based on this publication and on measurements at diferent rapidity and collision energy provide a constraint on gluon parton distribution functions at low values of Bjorken-x (10 —5 –10 —4 ). The measurements of $Λ^{+}_{c}$ ($Ξ^{+}_{c}$) baryon production extend the measured p T intervals down to p T = 0(3) GeV/c. These measurements are used to determine the charm-quark fragmentation fractions and the $c$$\overline{c}$ production cross section at midrapidity (|$y$| < 0.5) based on the sum of the cross sections of the weakly-decaying ground-state charm hadrons $D^{0}$, $D^{+}$, $D^{+}_{s}$, $Λ^{+}_{c}$, and $Ξ^{0}_{c}$ and, for the first time, $Ξ^{+}_{c}$, and of the strongly-decaying J/ψ mesons. The frst measurements of $Ξ^{+}_{c}$and $Σ^{0,++}_{c}$ fragmentation fractions at midrapidity are also reported. A signifcantly larger fraction of charm quarks hadronising to baryons is found compared to e + e — and ep collisions. The $c$$\overline{c}$ production cross section at midrapidity is found to be at the upper bound of state-of-the-art perturbative QCD calculations

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗