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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 163 records · Page 9

Trap-Filling Magnetoconductance as an Initialization and Readout Mechanism of Triplet Exciton Spins

Photoexcited triplet states are promising candidates for hybrid qubit systems, as they can be used as a controlling gate for nuclear spins. But microwave readout schemes do not generally offer the sensitivity needed to approach the single-molecule limit or the scope to integrate such systems into devices. In this report we demonstrate the possibility of electrical readout of triplet spins at room temperature through a specific mechanism of magnetoconductance (MC) in polycrystalline pentacene. We show that hole-only pentacene devices exhibit a positive photoinduced MC response that is consistent with a trap-filling mechanism. Spin and magnetic-field-dependent quenching of photogenerated triplets by holes quantitatively explains the MC response we observe. These results are distinct in both sign and proposed mechanism compared to previous reports on polyacene materials and provide clear design rules for future spintronic devices based on this spin-sensing mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uranyl-Tc( vii )/Tc( v ) hybrid clusters

Pertechnetate ( 99 Tc VII O 4 − ) and autoreduced 99 Tc(v), species coordinate to UO 2 2+ to form hybrid clusters. These clusters have important implications to understanding technetium chemistry in spent nuclear fuel and legacy wastes.

Chemistry↗

Economic Evaluation of a Coupled Nuclear Power Plant and Hydrogen Production Facility: A Case Study

This study optimized the design sizes and operation of a power-to-hydrogen-to-power integrated energy system to allow a baseload power plant to operate flexibly in the energy market. In collaboration with a utility industry partner, the system, consisting of an electrolyzer, compressors, storage tank, and fuel cell, was optimized under conditions specific to the proposed project at the site of a nuclear power plant. The Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES) maximized net present value by optimizing sizing of components and dispatch decisions. Revenues included sale of electricity, capacity payments typical of the New York Independent System Operator, and the section 45V hydrogen production tax credit of the Inflation Reduction Act of 2022 (the tax credit was assumed to be available to legacy plants in the absence of clear guidance at present). Under default assumptions which excluded many capital expenditures, the base case optimized solution had a net present value of $\$$1.4 million over a 30 year lifetime, with a 0.365 MW fuel cell operating nearly continuously and 85% of revenues supplied by the hydrogen production tax credit (which was counted as a revenue regardless of profit, thus assuming credit monetization or offset of taxes within the larger firm was possible in all years). Beyond the base case, a sensitivity study elucidated drivers of the economics as capacity payment rate and hydrogen production tax credit rate vary. Additional sensitivity studies also extended results to variation of other, previously fixed parameters, including the fuel cell capital cost, and to imposition of further constraints. Optimization was also repeated for the default assumptions but recognizing tax credits upon use of hydrogen rather than upon its production, producing no change in the optimal solution. Most notably, capacity payments above $\$$15/kW-month drove optimal fuel cells multiple times larger than those with the default estimated capacity payment of $\$$2.5/kW-month (approaching 11 vs. 0.365 MW), and these larger fuel cells operated rarely (capacity factors of ~0.03). Furthermore, when the hydrogen production tax credit was provided for only 10 years, under the specific assumptions of this study (e.g., neither site preparation costs nor electrolyzer capital cost counted), the optimal solution avoided economic loss by ceasing system operation after the 10th year. Viewed broadly, this study demonstrated the capabilities of DISPATCHES, which can be user-adapted to serve other industrial case studies.

08 HYDROGEN↗

2022 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate and undergraduate students an opportunity to come to LLNL for 8–10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work to the LLNL scientific community at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL. Due to the travel and access restrictions imposed by the COVID-19 pandemic, the 2022 NS 3 IP was organized as a hybrid internship program. Five of the 20 NS 3 IP students participated remotely. One of the 8 students funded directly by DTRA participated remotely. With LLNL’s extensive institutional support, remote students accessed the laboratory’s cyberinfrastructure through a secure virtual desktop environment and all seminars, mentor interactions, summer presentations, and laboratory tours had a remote option. The hybrid approach to the internship program provided flexibility to both the interns and their mentors to construct creative research projects that maximized student exposure to nuclear science research that is relevant to DTRA and LLNL. We anticipate continuing a hybrid internship format in the summer of 2023.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Running the gamut of high energy nuclear collisions

We present calculations of bulk properties and multiparticle correlations in a large variety of collision systems within a hybrid formalism consisting of IP-Glasma initial conditions, Music viscous relativistic hydrodynamics, and UrQMD microscopic hadronic transport. In particular, we study heavy ion collisions at the Large Hadron Collider (LHC), including Pb + Pb, Xe + Xe, and O + O collisions, and Au + Au, U + U, Ru + Ru, Zr + Zr, and O + O collisions at the Relativistic Heavy Ion Collider (RHIC). We further study asymmetric systems, including p + Au, d + Au, 3 He + Au, and p + Pb collisions at various energies as well as p+p collisions at 0.5 and 13 TeV. Here, we describe experimental observables in all heavy ion systems well with one fixed set of parameters, validating the energy and system dependence of the framework. As a result, many observables in the smaller systems are also well described, although they test the limits of the model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Reactor cell neutron dose for the molten salt breeder reactor conceptual design

The private sector’s interest in the active development of molten salt reactors has led to the need to develop and test advanced modeling and simulation tools to analyze various advanced reactor types under numerous conditions. This paper discusses the effort undertaken to model the Oak Ridge National Laboratory (ORNL) Molten Salt Breeder Reactor (MSBR) design using ORNL’s Shift Monte Carlo code. The MSBR model integrates a Monte Carlo N-Particle (MCNP) MSBR core model with an MCNP model that was generated from a CAD model of the external components and the reactor building, which was subsequently run in Shift. This paper focuses on development of the fully integrated model and its use in performing neutron transport calculations in the reactor cell area. This model is intended to aid in understanding radiological dose conditions during operation, as well as the iron dpa rates in the reactor vessel. The neutron biological dose rates and flux calculated in the reactor cell are much higher in the MSBR than in typical light-water reactors. The implications of these results and future work are also discussed in this paper.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Quarkyonic matter equation of state in beta-equilibrium

Quark matter may appear due to a hadronic-quark transition in the core of a hybrid star. Quarkyonic matter is an approach in which both quarks and nucleons appear as quasiparticles in a crossover transition, and provides an explicit realization of early ideas concerning quark matter (e.g., the MIT bag model). This description has recently been employed by McLerran and Reddy to model chargeless (pure neutron) matter with an approach that has the virtue that the speed of sound rises quickly at a neutron-quark transition so as to satisfy observational constraints on the neutron star maximum mass (≳ 2 $M_⊙$) and the radius of a 1.4 $M_⊙$ star ($R_{1.4}$ ≲ 13.5 km). Traditional models involving first-order transitions result in softer pressure-energy density relations that have difficulty satisfying these constraints except with very narrow choices of parameters. Here, we propose a variation of quarkyonic matter involving protons and leptons whose energy can be explicitly minimized to achieve both chemical and beta equilibrium, which cannot be done in the chargeless formulation. Quarkyonic stellar models are able to satisfy observed mass and radius constraints with a wide range of model parameters, avoiding the obligatory fine-tuning of conventional hybrid star models, including requiring the transition density to be very close to the nuclear saturation density. Our formulation fits experimental and theoretical properties of the nuclear symmetry energy and pure neutron matter, and contains as few as three free parameters. This makes it an ideal tool for the study of high-density matter that is an efficient alternative to piecewise polytrope or spectral decomposition methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nonequilibrium effects on stability of hybrid stars with first-order phase transitions

The stability of hybrid stars with first-order phase transitions as determined by calculating fundamental radial oscillation modes is known to differ from the predictions of the widely used Bardeen-Thorne-Meltzer criterion. We consider the effects of out-of-chemical-equilibrium physics on the radial modes and hence stability of these objects. For a barotropic equation of state, this is done by allowing the adiabatic sound speed to differ from the equilibrium sound speed. We show that doing so extends the stable branches of stellar models, allowing stars with rapid phase transitions to support stable higher-order stellar multiplets similarly to stars with multiple slow phase transitions. We also derive a new junction condition to impose on the oscillation modes at the phase transition. Termed the reactive condition, it is physically motivated, consistent with the generalized junction conditions between two phases, and has the common rapid and slow conditions as limiting cases. Unlike the two common cases, it can only be applied to nonbarotropic stars. Here, we apply this junction condition to hybrid stellar models generated using a two-phase equation of state consisting of nuclear matter with unpaired quark matter at high densities joined by a first-order phase transition and show that, like in the slow limiting case, stars that are classically unstable are stabilized by a finite chemical reaction speed.

79 ASTRONOMY AND ASTROPHYSICS↗

Need for research and training reactors for advanced reactor designs

Full text of publication follows. Research and training reactors have served a valuable role in helping train workforce for currently operating fleet of light water reactors. These research and training reactors have been used in reactor laboratory classes to familiarize the students with such vital concepts as approach to criticality, reactor period, neutron moderation, reactivity, flux distribution and leakage, etc. As the industry moves toward advanced non-light-water reactor designs, it is critical that research and training reactors be developed and deployed at university campuses to help train the new generation of nuclear and non-nuclear engineers who are likely to design, build, and operate these advanced reactors. Among the designs currently being pursued for nuclear power generation include molten salt, sodium cooled, and gas cooled designs, with options for various fuel forms. Thus, industry and DOE in collaboration with academic institutions should devise plans on how to familiarize the next generation of nuclear workforce with hands-on experience necessary for such designs. These research and training reactors will play a vital role in familiarizing the future workforce with hands-on experience with concepts associated with fast spectrum reactors, gas cooled reactors, and other features not associated with light water reactors. In addition to classical nuclear engineering concepts, these advanced research and training reactors can also be used for hands-on training as well as for research on features being considered in the design of GEN-IV reactors: cyber security for digital control room operations, hybrid energy system, hydrogen generation, district heating, autonomous control... (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Hybridization History and Repetitive Element Content in the Genome of a Homoploid Hybrid, Yucca gloriosa (Asparagaceae)

Hybridization in plants results in phenotypic and genotypic perturbations that can have dramatic effects on hybrid physiology, ecology, and overall fitness. Hybridization can also perturb epigenetic control of transposable elements, resulting in their proliferation. Understanding the mechanisms that maintain genomic integrity after hybridization is often confounded by changes in ploidy that occur in hybrid plant species. Homoploid hybrid species, which have no change in chromosome number relative to their parents, offer an opportunity to study the genomic consequences of hybridization in the absence of change in ploidy. Yucca gloriosa (Asparagaceae) is a young homoploid hybrid species, resulting from a cross between Yucca aloifolia and Yucca filamentosa. Previous analyses of ~11 kb of the chloroplast genome and nuclear-encoded microsatellites implicated a single Y. aloifolia genotype as the maternal parent of Y. gloriosa. Using whole genome resequencing, we assembled chloroplast genomes from 41 accessions of all three species to re-assess the hybrid origins of Y. gloriosa. We further used re-sequencing data to annotate transposon abundance in the three species and mRNA-seq to analyze transcription of transposons. The chloroplast phylogeny and haplotype analysis suggest multiple hybridization events contributing to the origin of Y. gloriosa, with both parental species acting as the maternal donor. Transposon abundance at the superfamily level was significantly different between the three species; the hybrid was frequently intermediate to the parental species in TE superfamily abundance or appeared more similar to one or the other parent. In only one case—Copia LTR transposons—did Y. gloriosa have a significantly higher abundance relative to either parent. Expression patterns across the three species showed little increased transcriptional activity of transposons, suggesting that either no transposon release occurred in Y. gloriosa upon hybridization, or that any transposons that were activated via hybridization were rapidly silenced. The identification and quantification of transposon families paired with expression evidence paves the way for additional work seeking to link epigenetics with the important trait variation seen in this homoploid hybrid system.

59 BASIC BIOLOGICAL SCIENCES↗

Boson Fermion Nucleus Correspondence With Second Period Primary Valencies And Bonding Angles: Monograph #15

The Boson Fermion Nuclei (BFN) in the second period of the periodic table of elements have structure. BFN nuclei of hydrogen and helium isotopes in the first period serve as building blocks for BFN in the second period. The building block nuclei in the first period have specific chemical bonding characteristics that carry over to their presence as building blocks in the BFN structures in the second period. The nuclear structure was created as a least energy nuclear configuration during stellar nucleosynthesis. The nuclear structure determines the principal valence and bonding angle of the second period element without consideration of Lewis structures, valence bond theory (VBT), orbital mixing and hybridization, molecular orbital theory (MOT), or valence shell electron pair repulsion (VSEPR) theory.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Predicting deviations in ex-core detector response in Krsko NPP during an earthquake with Monte-Carlo neutron transport methods

To study the response of ex-core detectors during an earthquake, an approach using Monte Carlo code MCNP was developed. As a first step to predict the response of the ex-core detectors a detailed MCNP model of the Krsko reactor core was created. A detailed MCNP core model was used to calculate 3D power distributions inside the core. Calculated power distributions were verified by comparison to the CORD-2 calculations, which is currently used for core design calculation verification of the Krsko nuclear power plant. Due to the outside the core position of the neutron detectors, the hybrid code ADVANTG is used to generate weight windows to speed up neutron transport outside the reactor core. To be able to use ADVANTG, fixed neutron source had to be reconstructed from the criticality core calculation. It was found that the power range ex-core detector movement has a negligible effect on the value of the thermal neutron flux at the active part of the detector. However, the 5 cm radial movement of the intermediate-range detector leads to 7 % - 8 % change in thermal neutron flux within the active intermediate-range detector region. The analysis continued with the evaluation of the effect of core barrel movement on the ex-core detector response. It was determined that the 2 mm core barrel radial oscillation can lead to ∼ 4% change in thermal neutron flux within the active detector region. It was evaluated that reactor core movement inside the baffle can lead up to ∼ 1.9% and ∼ 1.3% deviation in power-range and intermediate-range detector signal respectively. Analysis showed that the mechanical movement of ex-core neutron detectors could not explain the fluctuations in the ex-core detector signal. However, combined core barrel and reactor core inside baffle oscillations could be a probable reason for the observed fluctuations in the ex-core detector signal during an earthquake. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Monte Carlo Thermal Radiative Transfer Solver with Nonlinear Elimination

Here in this paper, we present a new Monte Carlo method for solving the thermal radiative transfer (TRT) equations via the method of nonlinear elimination (NLEM). This method is inspired by the previous application of NLEM to thermal radiation diffusion. Our approach, called diffusion accelerated Implicit Monte Carlo (DAIMC), is a hybrid technique which combines a Monte Carlo method for solving a purely-absorbing transport equation and a diffusion solution that accounts for effective scattering, or absorption–reemission. The method aims to improve the implicitness of the traditional implicit Monte Carlo (IMC) method. We derive DAIMC generally for 3D Cartesian geometries, but in this paper, we present results and analysis in 1D slab geometry. These preliminary results indicate that DAIMC implementations may provide more accurate and robust TRT solutions than IMC in certain test problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

6 MeV novel hybrid (standing wave - traveling wave) photo-cathode electron gun for a THz superradiant FEL

A novel 6 MeV hybrid photo-injector has been designed and constructed, based on a smaller-scale prototype previously built in UCLA’s Particle Beam Physics Laboratory. It has been commissioned at Ariel University in Israel as an on-going collaboration between the two universities. This unique, new generation design provides a radically simpler approach to RF feeding of a gun/buncher system, leading to a much shorter beam via velocity bunching owed to an attached traveling wave section of the photo-injector. This design offers better performance in beam parameters, providing a high quality electron beam, with energy of 6 MeV. The hybrid photo-injector was designed to provide emittance of approximately 3 μm, and pulse duration of 150 fs at up to 1 nC per pulse. The hybrid gun is driven by a SLAC XK5 klystron as the high power RF source, and third harmonic of a ~35 fs IR Laser amplifier (266 nm) to extract electrons from the photo-cathode. The unique electron gun will produce a bunched electron pulse to drive a THz FEL, which will operate at the super-radiant regime, and therefore requires ambitious beam properties. This paper describes the gun and presents experimental results from the gun and its sub-systems, including energy and charge measurements, compared with the design simulations.

150fs↗

Integrated Energy Systems Program Management Plan

In 2012, the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE) initiated the Nuclear Energy Enabling Technology Program, which includes the Crosscutting Technology Development (CTD) portfolio of subprograms, to conduct research, development, and demonstration (RD&D) to support existing, new and advanced reactor designs and fuel cycle technologies. This program plan describes the Integrated Energy Systems (IES) Program, an element of the CTD portfolio since 2016 that seeks to improve the economic competitiveness, efficiency and environmental performance of nuclear energy systems by expanding their potential application space beyond electricity and optimizing their utilization in the context of the larger U.S. electric and non-electric energy system.

08 HYDROGEN↗

Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O 2 -stable State of [FeFe] Hydrogenase

[FeFe] hydrogenases are the most active H 2 converting catalysts in nature, but their extreme oxygen sensitivity limits their use in technological applications. The [FeFe] hydrogenases from sulfate reducing bacteria can be purified in an O 2 -stable state called H inact . To date, the structure and mechanism of formation of H inact remain unknown. Our 1.65 Å crystal structure of this state reveals a sulfur ligand bound to the open coordination site. Furthermore, in-depth spectroscopic characterization by X-ray absorption spectroscopy (XAS), nuclear resonance vibrational spectroscopy (NRVS), resonance Raman (RR) spectroscopy and infrared (IR) spectroscopy, together with hybrid quantum mechanical and molecular mechanical (QM/MM) calculations, provide detailed chemical insight into the Hinact state and its mechanism of formation. This may facilitate the design of O 2 -stable hydrogenases and molecular catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Functional analysis of Pogostemon cablin farnesyl pyrophosphate synthase gene and its binding transcription factor PcWRKY44 in regulating biosynthesis of patchouli alcohol

Farnesyl pyrophosphate synthase (FPPS) plays an important role in the synthesis of plant secondary metabolites, but its function and molecular regulation mechanism remain unclear in Pogostemon cablin . In this study, the full-length cDNA of the FPP synthase gene from P. cablin ( PcFPPS ) was cloned and characterized. The expressions of PcFPPS are different among different tissues (highly in P. cablin flowers). Subcellular localization analysis in protoplasts indicated that PcFPPS was located in the cytoplasm. PcFPPS functionally complemented the lethal FPPS deletion mutation in yeast CC25. Transient overexpression of PcFPPS in P. cablin leaves accelerated terpene biosynthesis, with an ~47% increase in patchouli alcohol. Heterologous overexpression of PcFPPS in tobacco plants was achieved, and it was found that the FPP enzyme activity was significantly up-regulated in transgenic tobacco by ELISA analysis. In addition, more terpenoid metabolites, including stigmasterol, phytol, and neophytadiene were detected compared with control by GC-MS analysis. Furthermore, with dual-LUC assay and yeast one-hybrid screening, we found 220 bp promoter of PcFPPS can be bound by the nuclear-localized transcription factor PcWRKY44. Overexpression of PcWRKY44 in P. cablin upregulated the expression levels of PcFPPS and patchoulol synthase gene ( PcPTS ), and then promote the biosynthesis of patchouli alcohol. Taken together, these results strongly suggest the PcFPPS and its binding transcription factor PcWRKY44 play an essential role in regulating the biosynthesis of patchouli alcohol.

Wang, Xiaobing↗