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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 307 records · Page 17

Measurements of dense fuel hydrodynamics in the NIF burning plasma experiments using backscattered neutron spectroscopy

The hydrodynamics of the dense confining fuel shell is of great importance in defining the behavior of the burning plasma and burn propagation regimes of inertial confinement fusion experiments. However, it is difficult to probe due to its low emissivity in comparison with the central fusion core. In this work, we utilize the backscattered neutron spectroscopy technique to directly measure the hydrodynamic conditions of the dense fuel during fusion burn. Experimental data are fit to obtain dense fuel velocities and apparent ion temperatures. Trends of these inferred parameters with yield and velocity of the burning plasma are used to investigate their dependence on alpha heating and low mode drive asymmetry. It is shown that the dense fuel layer has an increased outward radial velocity as yield increases, showing that burn has continued into re-expansion, a key signature of hotspot ignition. A comparison with analytic and simulation models shows that the observed dense fuel parameters are displaying signatures of burn propagation into the dense fuel layer, including a rapid increase in dense fuel apparent ion temperature with neutron yield.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Developing Advanced Charge Readout Techniques for nEXO and Future Liquid Xenon OVBB Detectors (Final Report)

This award supported the Yale group’s efforts on nEXO, which included the following: 1) Developed techniques for measuring the outgassing of materials into liquid xenon (LXe) and a model for predicting the electron lifetime in nEXO and future LXe TPCs 2) Work to develop the conceptual design for the nEXO Photon Detector subsystem and TPC subsystem interconnections 3) Developed simulation of charge and light propagation and readout in nEXO.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Flexible Nuclear Energy for Clean Energy Systems

As part of the Nuclear Innovation: Clean Energy Future initiative, this report describes flexibility in nuclear systems, the value it can bring, and international experiences surrounding flexible nuclear energy. Flexible nuclear energy for this report is defined as “The ability of nuclear energy generation to economically provide energy services at the time and location they are needed by end-users. These energy services can include both electric and non-electric applications utilizing both traditional nuclear power plants and advanced integrated systems.” Flexibility in nuclear systems is enabled by three main mechanisms: core ramping, integrated energy systems with multiple byproducts, and thermal storage. The value of this flexibility on a $\$$/MW and a $\$$/MWh basis can be estimated through a combination of physics and economics modeling. International agencies describe their experiences in operating flexible nuclear systems and describe their plans for increasing nuclear flexibility in a clean energy system, likely with a high penetration of variable renewable energy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An updated technique to obtain explosive kinetics data on microsecond timescales

There are few techniques available for chemists to obtain time-to-explosion data with known temperature inputs at the early stages of the design and synthesis of new explosives. In the 1960s, a technique was developed to rapidly heat milligram-quantities of confined explosives to ~1000 K on microsecond timescales. Wenograd loaded explosives inside stainless steel hypodermic needles, connected them to a fireset and rapidly discharged a capacitor through the steel. He obtained the temperature by measuring the needle resistance in a Wheatstone bridge arrangement and the time to explosion from a needle rupture. However, owing to the narrow-gauge needles used in the original research, the experiment was only possible with melt-castable explosives; it was never replicated, and modern diagnostics are now available with advances beyond the 1960s. Here, we report the development of the High Explosives Initiation Time (HEIT) test, which utilizes a 250 J pulsed power system to heat the needles. This work extends the Wenograd approach by using optical diagnostics, computational modeling, and advanced techniques to measure needle resistance and needle rupture. Preliminary rate information for pentaerythritol tetranitrate (PETN) will be presented.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

New Frontiers in Geoengineering Research

In late summer 2019, the ninth annual workshop of the Geoengineering Model Intercomparison Project (GeoMIP; http://climate.envsci.rutgers.edu/GeoMIP) convened at Beijing Normal University (Fig. 1). This meeting was held in conjunction with a summer school in which 89 participants from five continents learned about climate modeling of solar geoengineering, also known as climate engineering or climate intervention. Solar geoengineering refers to “radiation management” methods, which involve deliberate manipulations of the radiation budget through potential technologies such as stratospheric sulfate aerosols, marine cloud brightening, and cirrus thinning, but not CO2 removal. The students at the summer school were mainly physical science majors, with many from China, but also included some social science people. The summer school was focused on impact modeling (e.g., on agriculture and the cryosphere) and consideration of extremes, rather than just looking at climate modeloutput. There were also lectures on governance and economics. This event signifies the first major international geoengineering meeting held in Asia.

Kravitz, Benjamin S.↗

Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm

The development of high-fidelity mechanisms for chemically reactive systems is a challenging process that requires the compilation of rate descriptions for a large and somewhat ill-defined set of reactions. The present unified combination of modeling, experiment, and theory provides a paradigm for improving such mechanism development efforts. Here we combine broadband rotational spectroscopy with detailed chemical modeling based on rate constants obtained from automated ab initio transition state theory-based master equation calculations and high-level thermochemical parametrizations. Broadband rotational spectroscopy offers quantitative and isomer-specific detection by which branching ratios of polar reaction products may be obtained. Using this technique, we observe and characterize products arising from H atom substitution reactions in the flash pyrolysis of acetone (CH 3 C(O)CH 3 ) at a nominal temperature of 1800 K. The major product observed is ketene (CH 2 CO). Minor products identified include acetaldehyde (CH 3 CHO), propyne (CH 3 CCH), propene (CH 2 CHCH 3 ), and water (HDO). Literature mechanisms for the pyrolysis of acetone do not adequately describe the minor products. The inclusion of a variety of substitution reactions, with rate constants and thermochemistry obtained from automated ab initio kinetics predictions and Active Thermochemical Tables analyses, demonstrates an important role for such processes. Furthermore, the pathway to acetaldehyde is shown to be a direct result of substitution of acetone's methyl group by a free H atom, while propene formation arises from OH substitution in the enol form of acetone by a free H atom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crowdsourcing biocuration: The Community Assessment of Community Annotation with Ontologies (CACAO)

Experimental data about gene functions curated from the primary literature have enormous value for research scientists in understanding biology. Using the Gene Ontology (GO), manual curation by experts has provided an important resource for studying gene function, especially within model organisms. Unprecedented expansion of the scientific literature and validation of the predicted proteins have increased both data value and the challenges of keeping pace. Capturing literature-based functional annotations is limited by the ability of biocurators to handle the massive and rapidly growing scientific literature. Within the community-oriented wiki framework for GO annotation called the Gene Ontology Normal Usage Tracking System (GONUTS), we describe an approach to expand biocuration through crowdsourcing with undergraduates. This multiplies the number of high-quality annotations in international databases, enriches our coverage of the literature on normal gene function, and pushes the field in new directions. From an intercollegiate competition judged by experienced biocurators, Community Assessment of Community Annotation with Ontologies (CACAO), we have contributed nearly 5,000 literature-based annotations. Many of those annotations are to organisms not currently well-represented within GO. Over a 10-year history, our community contributors have spurred changes to the ontology not traditionally covered by professional biocurators. The CACAO principle of relying on community members to participate in and shape the future of biocuration in GO is a powerful and scalable model used to promote the scientific enterprise. It also provides undergraduate students with a unique and enriching introduction to critical reading of primary literature and acquisition of marketable skills.

59 BASIC BIOLOGICAL SCIENCES↗

Oxygen Storage Incorporated Into Net Power and the Allam–Fetvedt Oxy-Fuel sCO2 Power Cycle—Techno-Economic Analysis

Abstract With the planned future reliance on variable renewable energy, the ability to store energy for prolonged time periods will be required to reduce the disruption of market fluctuations. This paper presents a method to analyze a hybrid liquid-oxygen (LOx) storage/direct-fired supercritical carbon dioxide (sCO2) power cycle and optimize the economic performance over a diverse range of scenarios. The system utilizes a modified version of the NET Power process to produce energy when energy demand exceeds the supply while displacing much of the cost of the air separation unit (ASU) energy requirements through cryogenic storage of oxygen. The model uses marginal cost of energy data to determine the optimal times to charge and discharge the system over a given scenario. The model then applies ramp rates and other time-dependent factors to generate an economic model for the system without storage considerations. The size of the storage system is then applied to create a realistic model of the plant operation. From the real plant operation model, the amount of energy charged and discharged, the capital expenditures (CAPEX) of each system, energy costs and revenue and other parameters can be calculated. The economic parameters are then combined to calculate the net present value (NPV) of the system for the given scenario. The model was then run through the SMPSO genetic algorithm in Python for a variety of geographic regions and large-scale scenarios (high solar penetration) to maximize the NPV based on multiple parameters for each subsystem. The LOx storage requirements will also be discussed.

Engineering↗

Engineering PHL7 for Improved Poly(Ethylene Terephthalate) Depolymerization via Rational Design and Directed Evolution

Enzymatic depolymerization of poly(ethylene terephthalate) (PET) has emerged as a promising approach for polyester recycling, and, to date, many natural and engineered PET hydrolase enzymes have been reported. For industrial use, PET hydrolases must achieve high depolymerization extent and exhibit excellent thermostability. Here, we engineered a natural PET hydrolase, Polyester Hydrolase Leipzig #7 (PHL7), through rational design and directed evolution using a high-throughput screening platform. Four new enzymes were engineered with enhanced properties compared with the parent enzyme, wild-type PHL7 (PHL7-WT), and other benchmark PET hydrolases, under the tested conditions. In bioreactors, the exemplary engineered enzyme, PHL7-Jemez, exhibited improved ability to depolymerize amorphous PET film compared with PHL7-WT at 2.9% and 20% substrate loadings, with 37% and 270% higher hydrolysis, respectively, after 48 h. This study develops several state-of-the-art PET hydrolases and demonstrates a directed evolution platform to engineer high-performance enzymes, which can accelerate enzyme discovery toward improved biocatalytic recycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wear of Wave Energy Converters Mooring Lines Belts

Using a belt as a replacement for a rope on a rotary power take-offs (PTOs) system has become more common for wave energy converters, improving cyclic bend over sheave performance with a smaller bending thickness for belts. However, the service life predictions of PTOs are a major concern in design, because belt performance under harsh underwater environments is largely less studied. Here, in this work, the effect of fleet and twist angles on wear life is being investigated both experimentally and numerically. Two three-dimensional equivalent static finite element models are constructed to evaluate the complex stress state of polyurethane-steel belts around steel drums. The first is to capture the response of the experimental investigation performed on the wear life, and the second to predict the wear life of an existing functional PTO. The results show a significant effect for fleet and twist angles on stress concentrations and estimated service life.

16 TIDAL AND WAVE POWER↗

Breakdown of superdiffusion in perturbed quantum integrable spin chains and ladders

Superdiffusive transport with dynamical exponent z=3/2 has been firmly established at finite temperature for a class of integrable systems with a non-Abelian global symmetry G. On the inclusion of integrability-breaking perturbations, diffusive transport with z=2 is generically expected to hold in the limit of late time. Recent studies of the classical Haldane-Ishimori-Skylanin model have found that perturbations that preserve the global symmetry lead to a much slower time scale for the onset of diffusion, albeit with uncertainty over the exact scaling exponent. That is, for perturbations of strength λ, the characteristic timescale for diffusion goes as t*∼λ−α for some α. Using large-scale matrix product state simulations, we investigate this behavior for perturbations to the canonical quantum model showing superdiffusion: the S=1/2 quantum Heisenberg chain. We consider a ladder configuration and look at various perturbations that either break or preserve the SU(2) symmetry, leading to scaling exponents consistent with those observed in one classical study [McCarthy , Phys. Rev. B 110, L180301 (2024)2469-995010.1103/PhysRevB.110.L180301]: α=2 for symmetry-breaking terms and α=6 for symmetry-preserving terms. We also consider perturbations from another integrable point of the ladder model with G=SU(4) and find consistent results. Finally, we consider a generalization to an SU(3) ladder and find that the α=6 scaling appears to be universal across superdiffusive systems when the perturbations preserve the non-Abelian symmetry G.

Wang, Kevin↗

Applied radiation tags for warhead dismantlement transparency

Here, this study explores the feasibility of applying radiation tags as a Chain of Custody tool to confirm the dismantlement of individual warheads by investigating time dependent emissions from special nuclear material. Precedents of photon and neutron sources that have been used to irradiate warhead components are presented. Measurements of irradiated Highly Enriched Uranium (HEU) are used to benchmark simulations with the CINDER90 library for MCNP. Delayed gamma emissions are simulated as a function of time since irradiation of moderated HEU and Weapons Grade Plutonium with photon and neutron sources. Models of commercial 9 MV and 15 MV linacs were found to induce ~10 9 fissions/g and ~10 11 fissions/g, respectively, creating 3 to 4 orders of magnitude more delayed gammas than neutron sources, modeled at 10 10 n/s. However, a DT neutron source was found to induce sufficient fissions, ~10 7 fissions/g, to create quantifiable signatures relative to intrinsic emissions. Applied radiation tagging is determined to be technically feasible, but its operational context and practical implementation requires significant development.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

PyTREES

PyTREES (Python tool for Training/Testing Robust Explainable Ensembles on Spectra) is software that implements a data-driven approach to predicting the amount of specific oxides present in materials samples of laser-induced breakdown spectroscopy (LIBS); such as from the ChemCam instrument suite onboard the NASA Curiosity rover. PyTREES is designed to input LIBS data in the format provided by the ChemCam team [1]. PyTREES then applies appropriate pre-processing to this data [2], and implements several regression methods for predicting oxides from spectra. The regression methods include: ensemble methods (random forest, extra trees, and gradient boosting regression) and blended submodels using the “double blending” technique. PyTREES additionally implements methods for quantifying the importance of features in regression model: (1) mean decrease in impurity (MDI) and (2) permutation importance to investigate the wavelengths used by the regression methods. [1] Gasda et al. (2021). Spectrochim Acta B, 181, 106223. [2] Clegg et al. (2017). Spectrochim Acta B , 129, 64–85.

Oyen, Diane↗

A Surface Exposed, Two-Domain Lipoprotein Cargo of a Type XI Secretion System Promotes Colonization of Host Intestinal Epithelia Expressing Glycans

The only known required component of the newly described Type XI secretion system (TXISS) is an outer membrane protein (OMP) of the DUF560 family. TXISS OMPs are broadly distributed across proteobacteria, but properties of the cargo proteins they secrete are largely unexplored. We report biophysical, histochemical, and phenotypic evidence that Xenorhabdus nematophila NilC is surface exposed. Biophysical data and structure predictions indicate that NilC is a two-domain protein with a C-terminal, 8-stranded β-barrel. This structure has been noted as a common feature of TXISS effectors and may be important for interactions with the TXISS OMP . The NilC N-terminal domain is more enigmatic, but our results indicate it is ordered and forms a β-sheet structure, and bioinformatics suggest structural similarities to carbohydrate-binding proteins. X. nematophila NilC and its presumptive TXISS OMP partner NilB are required for colonizing the anterior intestine of Steinernema carpocapsae nematodes: the receptacle of free-living, infective juveniles and the anterior intestinal cecum (AIC) in juveniles and adults. We show that, in adult nematodes, the AIC expresses a Wheat Germ Agglutinin (WGA)-reactive material, indicating the presence of N-acetylglucosamine or N-acetylneuraminic acid sugars on the AIC surface. A role for this material in colonization is supported by the fact that exogenous addition of WGA can inhibit AIC colonization by X. nematophila. Conversely, the addition of exogenous purified NilC increases the frequency with which X. nematophila is observed at the AIC, demonstrating that abundant extracellular NilC can enhance colonization. NilC may facilitate X. nematophila adherence to the nematode intestinal surface by binding to host glycans, it might support X. nematophila nutrition by cleaving sugars from the host surface, or it might help protect X. nematophila from nematode host immunity. Proteomic and metabolomic analyses of wild type X. nematophila compared to those lacking nilB and nilC revealed differences in cell wall and secreted polysaccharide metabolic pathways. Additionally, purified NilC is capable of binding peptidoglycan, suggesting that periplasmic NilC may interact with the bacterial cell wall. Overall, these findings support a model that NilB-regulated surface exposure of NilC mediates interactions between X. nematophila and host surface glycans during colonization. This is a previously unknown function for a TXISS.

59 BASIC BIOLOGICAL SCIENCES↗

Three-dimensional diagnostics and measurements of inertial confinement fusion plasmas

Recent inertial confinement fusion measurements have highlighted the importance of 3D asymmetry effects on implosion performance. One prominent example is the bulk drift velocity of the deuterium–tritium plasma undergoing fusion (“hotspot”), v HS . Upgrades to the National Ignition Facility neutron time-of-flight diagnostics now provide v HS to better than 1 part in 10 4 and enable cross correlations with other measurements. Here we present the impact of v HS on the neutron yield, downscatter ratio, apparent ion temperature, electron temperature, and 2D x-ray emission. The necessary improvements to diagnostic suites to take these measurements are also detailed. The benefits of using cross-diagnostic analysis to test hotspot models and theory are discussed, and cross-shot trends are shown.

47 OTHER INSTRUMENTATION↗

Superdiffusive transport of energy in one-dimensional metals

Metals in one spatial dimension are described at the lowest energy scales by the Luttinger liquid theory. It is well understood that this free theory, and even interacting integrable models, can support ballistic transport of conserved quantities including energy. In contrast, realistic one-dimensional metals, even without disorder, contain integrability-breaking interactions that are expected to lead to thermalization and conventional diffusive linear response. We argue that the expansion of energy when such a nonintegrable Luttinger liquid is locally heated above its ground state shows superdiffusive behavior (i.e., spreading of energy that is intermediate between diffusion and ballistic propagation), by combining an analytical anomalous diffusion model with numerical matrix-product–state calculations on a specific perturbed spinless fermion chain. Different metals will have different scaling exponents and shapes in their energy spreading, but the superdiffusive behavior is stable and should be visible in time-resolved experiments.

Bulchandani, Vir B.↗

Breakdown of helical edge state topologically protected conductance in time-reversal-breaking excitonic insulators

Gapless helical edge modes are a hallmark of the quantum spin Hall effect. Protected by time-reversal symmetry, each edge contributes a quantized zero-temperature conductance quantum G 0 ≡ e 2 /h. However, the experimentally observed conductance in WT e2 decreases below G 0 per edge already at edge lengths around 100 nm, even in the absence of explicit time-reversal breaking due to an external field or magnetic impurities. Here we show how a time-reversal breaking excitonic condensate with a spin-spiral order that can form in WT e2 leads to the breakdown of conductance quantization. We perform Hartree-Fock calculations to compare time-reversal breaking and preserving excitonic insulators. Using these mean-field models we demonstrate via quantum transport simulations that weak nonmagnetic disorder reproduces the edge length scaling of resistance observed in the experiments. We complement this by analysis in the Luttinger liquid picture, shedding additional light on the mechanism behind the quantization breakdown.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗