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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 181 records · Page 10

Measurements and Modeling of Soot Formation and Radiation in Microgravity Jet Diffusion Flames

This is a computational and experimental study for soot formation and radiative heat transfer in jet diffusion flames under normal gravity (1-g) and microgravity (0-g) conditions. Instantaneous soot volume fraction maps are measured using a full-field imaging absorption technique developed by the authors. A compact, self-contained drop rig is used for microgravity experiments in the 2.2-second drop tower facility at NASA Lewis Research Center. On modeling, we have coupled flame structure and soot formation models with detailed radiation transfer calculations. Favre-averaged boundary layer equations with a k-e-g turbulence model are used to predict the flow field, and a conserved scalar approach with an assumed Beta-pdf are used to predict gaseous species mole fraction. Scalar transport equations are used to describe soot volume fraction and number density distributions, with formation and oxidation terms modeled by one-step rate equations and thermophoretic effects included. An energy equation is included to couple flame structure and radiation analyses through iterations, neglecting turbulence-radiation interactions. The YIX solution for a finite cylindrical enclosure is used for radiative heat transfer calculations. The spectral absorption coefficient for soot aggregates is calculated from the Rayleigh solution using complex refractive index data from a Drude- Lorentz model. The exponential-wide-band model is used to calculate the spectral absorption coefficient for H20 and C02. It is shown that when compared to results from true spectral integration, the Rosseland mean absorption coefficient can provide reasonably accurate predictions for the type of flames studied. The soot formation model proposed by Moss, Syed, and Stewart seems to produce better fits to experimental data and more physically sound than the simpler model by Khan et al. Predicted soot volume fraction and temperature results agree well with published data for a normal gravity co-flow laminar flames and turbulent jet flames. Predicted soot volume fraction results also agree with our data for 1-g and 0-g laminar jet names as well as 1-g turbulent jet flames.

Ku, Jerry C.↗

Local Structure Analysis and Modelling of Lignin‐Based Carbon Composites through the Hierarchical Decomposition of the Radial Distribution Function

Abstract Carbonized lignin has been proposed as a sustainable and domestic source of activated, amorphous, graphitic, and nanostructured carbon for many industrial applications as the structure can be tuned through processing conditions. However, the inherent variability of lignin and its complex physicochemical structure resulting from feedstock and pulping selection make the Process‐Structure‐Property‐Performance (PSPP) relationships hard to define. In this work, radial distribution functions (RDFs) from synchrotron X‐ray and neutron scattering of lignin‐based carbon composites (LBCCs) are investigated using the Hierarchical Decomposition of the Radial Distribution Function (HDRDF) modelling method to characterize the local atomic environment and develop quantitative PSPP relationships. PSPP relationships for LBCCs defined by this work include crystallite size dependence on lignin feedstock as well as increasing crystalline volume fraction, nanoscale composite density, and crystallite size with increasing reduction temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Macroscale structural changes of thylakoid architecture during high light acclimation in Chlamydomonas reinhardtii

Abstract Photoprotection mechanisms are ubiquitous among photosynthetic organisms. The photoprotection capacity of the green alga Chlamydomonas reinhardtii is correlated with protein levels of stress-related light-harvesting complex (LHCSR) proteins, which are strongly induced by high light (HL). However, the dynamic response of overall thylakoid structure during acclimation to growth in HL has not been fully understood. Here, we combined live-cell super-resolution microscopy and analytical membrane subfractionation to investigate macroscale structural changes of thylakoid membranes during HL acclimation in Chlamydomonas . Subdiffraction-resolution live-cell imaging revealed that the overall thylakoid structures became thinned and shrunken during HL acclimation. The stromal space around the pyrenoid also became enlarged. Analytical density-dependent membrane fractionation indicated that the structural changes were partly a consequence of membrane unstacking. The analysis of both an LHCSR loss-of-function mutant , npq4 lhcsr1 , and a regulatory mutant that over-expresses LHCSR, spa1-1 , showed that structural changes occurred independently of LHCSR protein levels, demonstrating that LHCSR was neither necessary nor sufficient to induce the thylakoid structural changes associated with HL acclimation. In contrast, stt7-9 , a mutant lacking a kinase of major light-harvesting antenna proteins, had a slower thylakoid structural response to HL relative to all other lines tested but still showed membrane unstacking. These results indicate that neither LHCSR- nor antenna-phosphorylation-dependent HL acclimation are required for the observed macroscale structural changes of thylakoid membranes in HL conditions.

59 BASIC BIOLOGICAL SCIENCES↗

An Atom Probe Tomography Study of the Through Wall Attenuation Effect on Cu-rich Precipitate Formation in a Reactor Pressure Vessel Steel

In this study, high-Cu weld material harvested from an ex service reactor pressure vessel (RPV) steel from Unit 1 of the decommissioned Zion Nuclear Generating Station has been characterized using atom probe tomography. Samples taken from 4 different positions through the thicknesses of the pressure vessel wall from the water-side to the air-side were characterized, along with an unirradiated baseline material. In the baseline material, no precipitates were found and the Cu was observed to be fully in solid solution; however, scanning transmission electron microscopy combined with energy dispersive spectroscopy (STEM-EDS) revealed the presence of ϵ -Cu that form during processing of the material and results in the concomitant decrease of matrix Cu. Following irradiation, a high number density of nano-scale Cu-rich precipitates (CRPs) were observed, uniformly distributed throughout the matrix. The Cu content within the CRPs was found to be ~30-35 at.% regardless of location in the wall. No statistically significant variation in the compositions, mean radius, number density, or volume fraction as a function of location within the wall was observed. The measured matrix Cu level excluding CRPs contribution was found to be ~90 appm higher than the solubility limit suggesting that further nucleation and growth of the CRPs under continued operations would have occurred. These results clearly demonstrate that the neutron energy attenuation has no significant effect on the precipitation kinetics of CRPs regardless of location in the wall in high-Cu RPV steels under irradiation.

36 MATERIALS SCIENCE↗

Integrated simulation of U-10Mo monolithic fuel swelling behavior

Here, a separate computational branch has been implemented within the DART (Dispersion Analysis Research Tool) computational code to simulate the swelling behavior of U-10Mo monolithic fuel under the operating conditions of high-power research and test reactors (RTRs). The monolithic branch of the DART code implements a mechanistic rate-theory-based fission-gas-behavior model for the calculation of fission gas swelling, as well as a suite of thermal, physical, and mechanical models to take into account various processes occurring in RTR fuels during irradiation. In order to accurately simulate and eventually predict U-10Mo monolithic fuel irradiation behavior, the code uses materials properties calculated with lower length-scale computational methods, such as gas atom diffusivity and U-Mo surface energy from atomic simulations and grain-morphology-specific recrystallization kinetics (recrystallized fuel volume fractions vs. fission density) predicted using the phase-field method. The remainder of fission gas behavior parameters used in the model were calibrated with measured intergranular bubble size distributions. With this integrated simulation approach, the swelling behavior of U-10Mo monolithic fuel was simulated for various initial grain sizes at different operating conditions and compared with measured data. Furthermore, because limited experimental data exist for parameter calibration detailed sensitivity studies for the important parameters used in the fission gas behavior model were performed in order to examine their impact on both intergranular gas bubble morphology at low fission density, and on total porosity at high fission density.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Tuning gas separation performance of polyimide membranes with macrocyclic crown ether units

Membrane-based gas separation is an energy-efficient alternative to conventional thermally-driven separation processes. However, polymer membranes face the permeability-selectivity trade-off challenge, which stems from the broad size distribution of free volume voids. Here, this study reports a molecular design strategy to address this challenge through incorporating macrocyclic crown ether (CE) moieties into the backbone of Matrimid® polyimide, a commercial gas separation membrane. A series of CE-containing Matrimid®-like copolyimides were synthesized with systematically varied CE molar contents ranging from 3 to 20%. These copolyimides formed ductile, defect-free thin films suitable for membrane fabrication. Gas permeation tests revealed a non-monotonic relationship between permeability/selectivity and CE content. Notably, the copolyimide with only 5% CE demonstrated a 61% increase in CO 2 /CH 4 selectivity and a 13% increase in CO 2 permeability relative to pristine Matrimid®. Higher CE contents did not yield further performance improvements, which is likely due to the competing effects of chain packing disruption and π–π interactions among CE moieties at high content. This hypothesis was supported by wide-angle X-ray scattering (WAXS) analysis, density measurements, and fractional free volume calculations. These findings highlight the potential of macrocyclic crown ether incorporation strategies in fine tuning the microstructure of commercial polyimide gas separation membranes to surpass the traditional permeability-selectivity trade-off.

CO2 separation↗

Comprehensive view of microscopic interactions between DNA-coated colloids

Abstract The self-assembly of DNA-coated colloids into highly-ordered structures offers great promise for advanced optical materials. However, control of disorder, defects, melting, and crystal growth is hindered by the lack of a microscopic understanding of DNA-mediated colloidal interactions. Here we use total internal reflection microscopy to measure in situ the interaction potential between DNA-coated colloids with nanometer resolution and the macroscopic melting behavior. The range and strength of the interaction are measured and linked to key material design parameters, including DNA sequence, polymer length, grafting density, and complementary fraction. We present a first-principles model that screens and combines existing theories into one coherent framework and quantitatively reproduces our experimental data without fitting parameters over a wide range of DNA ligand designs. Our theory identifies a subtle competition between DNA binding and steric repulsion and accurately predicts adhesion and melting at a molecular level. Combining experimental and theoretical results, our work provides a quantitative and predictive approach for guiding material design with DNA-nanotechnology and can be further extended to a diversity of colloidal and biological systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fluid-like shock compression of dilute polymer nanocomposites

The shock Hugoniot of heterogenous mixtures of discrete particles has been experimentally investigated for porous agglomerates and fluids, while the study of full-density solids has been primarily limited to compressed powders and high-dimensional composites. By dispersing ceria nanoparticles in a polyethylene matrix, we are able to examine the hydrodynamic behavior of a nonporous, heterogenous solid in thermal equilibrium during weak shock compression. Phase-driven discontinuities in the Hugoniot particle velocity–shock velocity (u−D) relationship of pure polyethylene are replicated in the nanocomposites but are shifted to lower velocity and to higher pressure with higher particle concentration. The results are explained using an isothermal, two-velocity fluid model under the hydrodynamic approximation. The model, which assumes a theoretical equation-of-state for ceria and either a low-order or high-order fit to the measured polyethylene Hugoniot, reasonably predicts the Hugoniot for two different polyethylene/ceria nanocomposites. Using the model, the mixture Hugoniot is shown to be insensitive to the Hugoniot of the stiffer constituent when the moduli are sufficiently disparate, while dependence on particle density and volume fraction is preserved through fluid-like motion.

Moore, Nathan W. [Sandia National Laboratories (SN↗

Glassy quantum nuclear pasta in neutron star crusts

We conduct a comprehensive survey of the shape parameter space of the nuclear pasta phases in neutron star crusts by conducting three-dimensional Hartree-Fock + BCS calculations. Spaghetti, waffles, lasagna, bicontinuous phases and cylindrical holes occupy local minima in the resulting constant-pressure Gibbs energy surfaces, implying multiple geometries coexist at a given depth. Notably, the bicontinuous phase, in which both the neutron gas and nuclear matter extend continuously in all dimensions appears over a large depth range. Our results support the idea that nuclear pasta is a glassy system. At a characteristic temperature, of order 10 8 – 10 9 K, different phases may become frozen into domains whose sizes we estimate to be 1–50 times the lattice spacing and over which the local density and electron fraction can vary. Above this temperature, very little long-range order exists and matter is an amorphous solid. Electron scattering off domain boundaries may contribute to the disorder resistivity of the pasta phases. Annealing of the domains may occur during cooling; repopulating of local minima during crustal heating might lead to temperature-dependent transport properties in the deep crust layers. We identify four regions distinguished by whether pasta is the true ground state, and whether the pasta structure allows delocalization of protons. The whole pasta region can occupy up to 70% of the crust by mass and 25% by thickness, and the layer in which protons are delocalized could occupy 45% of the crust mass and 15% of its thickness.

79 ASTRONOMY AND ASTROPHYSICS↗

Small-scale clumping at recombination and the Hubble tension

Despite the success of the standard ΛCDM model of cosmology, recent data improvements have made tensions emerge between low- and high-redshift observables, most importantly in determinations of the Hubble constant H 0 and the (rescaled) clustering amplitude S 8 . The high-redshift data, from the cosmic microwave background (CMB), crucially relies on recombination physics for its interpretation. In this work, we study how small-scale baryon inhomogeneities (i.e., clumping) can affect recombination and consider whether they can relieve both the H 0 and S 8 tensions. Such small-scale clumping, which may be caused by primordial magnetic fields or baryon isocurvature below kpc scales, enhances the recombination rate even when averaged over larger scales, shifting recombination to earlier times. We introduce a flexible clumping model, parametrized via three spatial zones with free densities and volume fractions, and use it to study the impact of clumping on CMB observables. We find that increasing H 0 decreases both Ω m and S 8 , which alleviates the S 8 tension. On the other hand, the shift in Ω m is disfavored by the low-z baryon-acoustic-oscillations measurements. We find that the clumping parameters that can change the CMB sound horizon enough to explain the H 0 tension also alter the damping tail, so they are disfavored by current Planck 2018 data. We test how the CMB damping-tail information rules out changes to recombination by first removing ℓ > 1000 multipoles in Planck data, where we find that clumping could resolve the H 0 tension. Furthermore, we make predictions for future CMB experiments, as their improved damping-tail precision can better constrain departures from standard recombination. Both the Simons Observatory and CMB-S4 will provide decisive evidence for or against clumping as a resolution to the H 0 tension.

79 ASTRONOMY AND ASTROPHYSICS↗

Mirror dark sector solution of the Hubble tension with time-varying fine-structure constant

Here we explore a model introduced by Cyr-Racine et al. that resolves the Hubble tension by invoking a “mirror world” dark sector with energy density a fixed fraction of the “ordinary” sector of Λ+ cold dark matter. Although it reconciles cosmic microwave background and large-scale structure observations with local measurements of the Hubble constant, H 0 , the model requires a value of the primordial helium mass fraction, Y p = 0.170 ± 0.025, that is discrepant with observations and with the predictions of big bang nucleosynthesis. We consider a variant of the model with standard helium mass fraction but with the value of the electromagnetic fine-structure constant, α, slightly different during photon decoupling from its present value. If α at that epoch is lower than its current value by Δα ≃ -2 x 10 -5 , then we can achieve the same Hubble tension resolution as in the work by Cyr-Racine et al. but with consistent helium abundance. As an example of such time evolution of α, we consider a toy model of an ultralight scalar field, with mass m < 4 x 10 -29 eV, coupled to electromagnetism, which evolves after photon decoupling at redshift z ≃ 10 3 , and that with appropriate coupling appears to be consistent with late-time constraints on α variation and the weak equivalence principle.

79 ASTRONOMY AND ASTROPHYSICS↗

Post Examination of Candidate NpO 2 Targets for 238 Pu Production

Four targets composed of sintered NpO 2 pellets enclosed in Zircaloy cladding were irradiated in the High Flux Isotope Reactor for 2 to 4 cycles to determine if an oxide pellet and Zircaloy cladding would be usable candidates for 238 Pu production. The pellets were sintered to a high fraction of theoretical density (TD) and melt wires were placed in small holes that had been drilled in the center of selected pellets to determine if the pellet centers exceeded desirable operating temperatures. After irradiation, the targets were punctured to determine the internal target pressure and the fission gas release. None of the targets had excessive pressure, and fission gas release was in the range of 4 to 38%. The targets were then cut into segments for radiochemical analysis, and metallography (MET) mounts were created to examine the pellet microstructure and to search for the melt wires to determine if they had melted. Three of the four targets resulted in successful MET mounts; the two-cycle pellets were too friable to be handled. No signs of pellet melting were noted, and unfortunately, none of the melt wires could be recovered. The results indicate that this pellet/clad design offers a practical option for 238 Pu production.

36 MATERIALS SCIENCE↗

The Aftermath of a Black Hole Eating a Neutron Star [Slide]

Density and electron fraction of neutron star stuff leftover after a black hole eats the neutron star. Events like this one are believed to power gamma ray bursts, some of the most energetic events in the universe, and be the source of heavy elements like gold and platinum.

79 ASTRONOMY AND ASTROPHYSICS↗

Annual report for DOE VTO

Carbon fiber (CF)/polymer composites are a transformative class of high-performance, lightweight material, where high aspect-ratio CFs reinforce a polymer matrix and exceed the strength of steel alloys at a fraction of the density. Despite the advantages of such a class of material, the broader implementation of CF composites in a range of automotive, aerospace, and energy applications is hindered by limitations of current manufacturing methods. These current techniques (e.g., hand lay-up, wet filament winding) are costly and impose severe limitations on fiber placement, orientation, and angle, and thus a composite’s ultimate properties. Today’s CF composites are expensive to manufacture, limited in form factor, and utilize costly and sub-optimal continuous filament CF. Advanced additive manufacturing (AM) processes, combined with computational design optimization and new approaches to resin development, offer alternative design and manufacturing paradigms that have the realistic potential to lift these constraints. Such integrated AM approaches could thus help to realize the full potential of CF composite materials. One relevant application of CF composite materials where manufacturing constraints limit the cost-benefit ratio is in the manufacture of high-performance composite pressure vessels for onboard compressed natural gas (CNG) storage. Current CNG storage vessels (Types 3–5) are made from load-bearing filament-wound carbon-fiber composite and are ~3.5 times as expensive as an all-metallic Type-1 vessel. This cost is invariably tied to the complex and labor-intensive nature of conventional filament winding processes and the large volumes of expensive high tensile-strength CF tow feedstock required in manufacture. Our proposed approach to CNG storage vessel manufacture is based on a combination of AM technologies for CF composite printing and design optimization tools that were pioneered at Lawrence Livermore National Laboratory (LLNL), with advances in resin/composite formulation enabled by chemical and nano-material modification. Through the successful development of this technology, LLNL seeks to demonstrate the capability for advanced CNG storage vessel manufacture at reduced cost with no reduction in performance versus the most advanced, extant Type-5 designs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Fully Recyclable CFRP Particles (CRADA 519)

The proposed resin-enhanced materials, which utilize fully recycled CFRP (carbon-fiber-reinforced polymer) particles, are enabled by PARC's proprietary Chemically Linked Particles Networks (13 granted patents and patent applications). PNNL and PARC have collaborated to develop manufacturing methods, such as vacuum-assisted wet compression molding and filament winding, for fabricating fiber-reinforced composites with the PARC matrix. PNNL has conducted various mechanical, physical, and thermal characterizations to compare their differences between the composites with baseline and PARC matrices. Those characterizations include density, void volume fraction, optical micrography, uniaxial tension, four-point bending/flexure, interlaminar shear, coefficient of thermal expansion, glass transition temperature, and curing kinetics.

36 MATERIALS SCIENCE↗

Two Dimensional Topology Optimization of Heat Exchangers with the Density and Level-Set Methods

We design heat exchangers using two topology optimization approaches: the density, i.e. volume fraction and level set methods. Our goal is to maximize the heat exchange between two fluids in separate channels while constraining the pressure drop across each channel. The heat exchanger is modeled with a coupled thermal-flow formulation. The flow is governed by an isothermal and incompressible Stokes-Brinkman equation and the heat transfer is governed by a convection-diffusion equation with high Peclet number. We solve one set of Stokes-Brinkman equations per fluid. Each Brinkman term in the flow equation serves to model the other phase as a solid, thereby preventing mixing. We first represent the solid and fluid phases using a volume fraction variable and apply a SIMP-like penalization in the Brinkman term to drive the optimization to a discrete design. The cost and constraint function derivatives are automatically calculated with the library pyadjoint and the optimization is performed by the Method of Moving Asymptotes. In a second optimization formulation, we use the level set approach to define the interface that separates the two fluids. Pyadjoint calculates the shape derivatives of the cost and constraint functions and the Hamilton-Jacobi advects the interface, allowing for topological changes. We present results in two dimensions and discuss the advantages and disadvantages of each approach.

42 ENGINEERING↗

Ultrasonic evaluation of the strength of unidirectional graphite-polyimide composites

An acoustic-ultrasonic method is described that was successful in ranking unidirectional graphite-polyimide composite specimens according to variations in interlaminar shear strength. Using this method, a quantity termed the stress wave factor was determined. It was found that this factor increases directly with interlaminar shear strength. The key variables in this investigation were composite density, fiber weight fraction, and void content. The stress wave factor and other ultrasonic factors that were studied were found to provide a powerful means for nondestructive evaluation of mechanical strength properties.

Vary, A.↗

Tensile properties of SiC/aluminum filamentary composites - Thermal degradation effects

Aluminium metal matrix composites with a low cost fiber, e.g. SiC, provide for an attractive combination of high elastic modulus and longitudinal strengths coupled with a low density. SiC (volume fraction 0.55)-aluminum (6061) systems have been studied in order to optimize fiber composite strength and processing parameters. A comparison of two SiC/aluminum composites produced by AVCO and DWA is provided. Fiber properties are shown to alter composite tensile properties and fracture morphology. The room temperature tensile strengths appear to be insensitive to thermal exposures at 500 C up to 150 h. The elastic modulus of the composites also appears to be stable up to 400 C, however variations in the loss modulus are apparent. The fracture morphology reflects the quality of the interfacial bond, fiber strengths and fiber processing.

Skinner, A.↗