De-risking Pretreatment of Microalgae To Produce Fuels and Chemical Co-products
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09 BIOMASS FUELS↗
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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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Beam Breakup Simulations for the Scorpius Flash-Radiography Accelerator
Beam breakup (BBU) in linear induction accelerators (LIAs) used for flash radiography is problematic because the high-frequency beam motion can blur the source spot, thereby degrading resolution. Amplification of BBU depends directly on details of cell design and is suppressed in operation by the solenoidal magnetic field focusing on the electron beam. Therefore, much effort has gone into design of the cells and magnetic focusing for the new Scorpius radiography LIA. Here, in this article, we use computer simulations to demonstrate that BBU in Scorpius should be no more than in present radiography LIAs at the Los Alamos National Laboratory.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Design and synthesis of two-dimensional covalent organic frameworks with four-arm cores: prediction of remarkable ambipolar charge-transport properties
Theoretical and experimental investigations of diacetylene-linked COFs with remarkable charge-transport properties.
Thomas, Simil↗
Synthesis of a planar, multicomponent catalytic surface of Na 2 CO 3 /MnO
Here, O 2 adsorption on MnO(100) precovered with sodium (Na) multilayers was investigated by X-ray photoelectron spectroscopy (XPS) and temperature programmed desorption (TPD). Deposition of Na multilayers leads to a first monolayer of oxidic Na followed by metallic Na island growth. XPS results for the oxidation of the metallic Na islands indicate an incomplete oxidation of Na at 125 K. Oxidation at 350 K completely oxidizes the metallic islands producing a mixture of Na 2 O and Na 2 O 2 . Thermal evolution of the oxidation products was examined. After oxidation at 350 K and flashing to 750 K, Na 2 O and Na 2 O 2 are the primary oxides on MnO(100). After flashing to 850 K, a solid state reaction of Na 2 O 2 /Na 2 O and the MnO(100) substrate forms a NaMnO 2 -like surface compound which decomposes above 850 K. Oxygen exchange between CO 2 and Na oxides is observed. The strong interaction between CO 2 and Na oxide islands forms Na 2 CO 3 on MnO(100). Heating the Na 2 CO 3 covered MnO(100) surface to 600 K for 10 min drives oxidic Na in the first monolayer into the MnO subsurface, and produces a surface exposing islands of Na 2 CO 3 on MnO(100).
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Cycloalkane-rich sustainable aviation fuel production via hydrotreating lignocellulosic biomass-derived catalytic fast pyrolysis oils
Sustainable aviation fuel (SAF) produced from lignocellulosic biomass is emerging as an ideal alternative to conventional jet fuel for aviation sector decarbonization. Catalytic fast pyrolysis (CFP) can convert lignocellulosic biomass into relatively stable bio-oil that can be selectively transformed to various transportation fuels through hydroprocessing under conditions of different severities. In this contribution, two CFP oils produced from pine-based feedstocks over different types of catalysts (i.e., ZSM-5 and Pt/TiO 2 catalysts) were hydrotreated at 125 bar in a non-isothermal process with a maximum temperature of 385 °C over a sulfided NiMo/Al 2 O 3 catalyst to produce SAF with high cycloalkane concentrations of 89–92 wt%. Cycloalkanes are an important component of jet fuel with advantageous fuel properties, such as high energy density, low sooting, and potential for replacing aromatic hydrocarbons to provide good seal swelling properties. The hydrotreating process successfully converted 91–92% of the biogenic carbon in the CFP oil intermediates to liquid-phase hydrotreated products. Through distillation, 39–40 wt% of the hydrotreated oils were collected in the jet-fuel range as SAF fractions. The rest of the hydrotreated product could be valorized as fuels (e.g., diesel) or chemicals. The SAF fractions with oxygen contents below the detection limit (<0.01 wt%) met ASTM D7566 finished fuel blend and D4054 Tier 1 specifications with respect to density, lower heating value (LHV), volatility, flash point, and freeze point. These results indicate hydrotreating lignocellulosic biomass-derived CFP oil as a promising pathway to produce high-quality SAF rich in cycloalkanes. Continued research is required to increase the SAF yield by process improvements, such as increased CFP oil yields, and an enhanced production of SAF-range molecules via e.g., cracking of high-molecular weight compounds either during CFP or hydrotreating, as well as evaluation of a broader range of jet fuel properties and performance requirements.
09 BIOMASS FUELS↗
Synthesis of zirconium oxynitride in air under DC electric fields
We synthesized zirconium oxynitride from yttria-stabilized zirconia (YSZ) in air by applying DC electric fields that produced a controlled electric current in the specimen. When YSZ was heated under an applied DC electric field, the electric current of the specimen steeply increased at a critical temperature, called a flash event, during flash sintering. By keeping the electric current of the specimen constant during the flash event and then holding the specimen at the critical temperature, YSZ was transformed into zirconium oxynitride under the optimal conditions of 50 V/cm, 500 mA, and 1000 °C. We confirmed that zirconium oxynitride formed using high-resolution transmission electron microscopy, electron energy-loss spectroscopy, and energy-dispersive spectrometry. To convert oxides to nitrides, reducing conditions are necessary to form excess oxygen vacancies. Our technique produced the strong reducing conditions necessary to form nitrides from the oxides by delivering a controlled electric current to the specimen.
36 MATERIALS SCIENCE↗
A Simulation Resource Team for Innovative Fusion Concepts
This project created a shared simulation resource for innovative fusion concepts at the University of Rochester, built around the FLASH, TriForce, OSIRIS, and OSHUN codes. Many promising fusion approaches are too complex to evaluate by experiment alone yet building a custom simulation capability from scratch for each new concept is expensive and slow. The BETHE Simulation Resource Team addressed this problem by developing and validating a flexible set of numerical tools, which were then applied across three major concept areas: plasma-jet-driven magneto-inertial fusion, staged Z pinches, and field-reversed configurations. The team assisted three concept teams and carried out independent analyses of all three concepts.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Study of GRB light-curve decay indices in the afterglow phase
In this work, we study the distribution of temporal power-law decay indices, α, in the gamma-ray burst (GRB) afterglow phase, fitted for 176 GRBs (139 long GRBs, 12 short GRBs with extended emission, and 25 X-ray flashes) with known redshifts. These indices are compared with the temporal decay index, α {sub W}, derived with the light-curve fitting using the Willingale et al. model. This model fitting yields similar distributions of α {sub W} to the fitted α, but for individual bursts a difference can be significant. Analysis of (α, L {sub a}) distribution, where L {sub a} is the characteristic luminosity at the end of the plateau, reveals only a weak correlation of these quantities. However, we discovered a significant regular trend when studying GRB α values along the Dainotti et al. correlation between L {sub a} and the end time of the plateau emission in the rest frame, T{sub a}{sup ∗}, hereafter LT correlation. We note a systematic variation of the α parameter distribution with luminosity for any selected T{sub a}{sup ∗}. We analyze this systematics with respect to the fitted LT correlation line, expecting that the presented trend may allow us to constrain the GRB physical models. We also attempted to use the derived correlation of α(T{sub a}) versus L{sub a}(T{sub a}) to diminish the luminosity scatter related to the variations of α along the LT distribution, a step forward in the effort of standardizing GRBs. A proposed toy model accounting for this systematics applied to the analyzed GRB distribution results in a slight increase of the LT correlation coefficient.
79 ASTRONOMY AND ASTROPHYSICS↗
Pre-ignition confinement and deflagration violence in LX-10 and PBX 9501
In thermal explosions of the nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)-based explosives LX-10 and PBX-9501, the pre-ignition spatial and temporal heating profile defines the ignition location. The ignition location then determines the extent of inertial confinement and the violence of the resulting deflagration. In this work, we present results of experiments in which ∼23 g cylinders of LX-10 and PBX 9501 in thin-walled aluminum confinement vessels were subjected to identical heating profiles but which presented starkly different energy release signatures. Post-explosion LX-10 containment vessels were completely fragmented, while the PBX 9501 vessels were merely ruptured. Flash x-ray radiography images show that the initiation location for the LX-10 is a few mm farther from the end caps of the vessel relative to the initiation location of PBX 9501. This difference increases deflagration confinement for LX-10 at the time of ignition and extends the pressurization time during which the deflagration front propagates in the explosive. The variation in the initiation location, in turn, is determined by the thermal boundary conditions, which differ for these two explosives because of the larger coefficient of thermal expansion and greater thermal stability of the Viton binder in LX-10 relative to the estane and bis(2,2-dinitropropyl) acetal/formal binder of the PBX 9501. The thermal profile and initiation location were modeled for LX-10 using the hydrodynamics and structures code ALE3D; results indicate temperatures in the vicinity of the ignition location in excess of 274 °C near the time of ignition. The conductive burn rates for these two explosives, as determined by flash x-ray radiography, are comparable in the range 0.1–0.2 mm/μs, somewhat faster than rates observed by strand burner experiments for explosives in the temperature range 150–180 °C and pressures up to 100 MPa. The thinnest-wall aluminum containment vessels presented here rupture at lower pressures, in the range 10 MPa, suggesting that moderately higher temperatures and pressures are present near the deflagration front. For these explosives, however the most important property for determining deflagration violence is the degree of inertial confinement.
42 ENGINEERING↗
Observation of laser ablation of silicon as a function of pulse length at constant fluence via time-resolved x-ray spectroscopy
We investigate the ablation of silicon as a function of laser pulse length at a constant fluence using time-resolved x-ray spectroscopy data obtained from OMEGA EP experiments at the University of Rochester's Laboratory for Laser Energetics. Our targets consisted of three-layer planar structures composed of Si (50 μm), Cu (25 μm), and SiO 2 (500 μm) layers. The Si layer was irradiated by a 351-nm laser with varying pulse widths of 250 ps, 500 ps, 1 ns, and 10 ns while maintaining a constant fluence of ~27.9 kJ/cm 2 . Electron temperatures and densities of the ablated plasma were determined by analyzing the time-resolved x-ray spectroscopy data through a comparison of experimental measurements with synthetic results obtained from Si atomic calculations in a steady state and non-local thermodynamic equilibrium. These calculations were computed using PrismSPECT. Additionally, radiation-hydrodynamics simulations with FLASH are used to generate simulated plasma-density and plasma-temperature profiles, which are then compared with the experimental measurements. Our analyses reveal that increasing the laser pulse length at a constant fluence results in a decrease in electron temperatures and densities. Furthermore, the longer pulses with lower intensities lead to deeper ablation regions before reaching the peak ablation but lower ionization balances in the silicon layer. Furthermore, these findings emphasize the critical role of laser pulse length in plasma ablation and shock generation for laser-impulse studies.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
In-Situ Laser-Induced-Desorption-Spectroscopy Diagnostic Deployment on the Linear Plasma Device CSDX
A calibrated laser induced desorption diagnostic (LIDS) concept is developed under this award for application to fusion relevant plasma materials interactions studies. Small areal amounts of hydrogenic release from a deuterium filled PMI target are measured and quantified when irradiated by a LID flash heat event on the target surface. Good success was demonstrated by this project with the PISCES-E rf plasma device at UCSD by fully quantified measurement and removal of D from W-D co-deposit layers in experiments. However, adapting the LIDS technique to D plasma exposed W targets in the linear plasma CSDX device, now labelled PISCES-Rf, was prone to several technical challenges ranging from target line of sight access, laser focusing, and loss of optical spectroscopic signal strength in the larger PISCES-Rf vacuum system. The results are summarized in this report.
08 HYDROGEN↗
Forecasting Lightning Threat using Cloud-Resolving Model Simulations
Two new approaches are proposed and developed for making time and space dependent, quantitative short-term forecasts of lightning threat, and a blend of these approaches is devised that capitalizes on the strengths of each. The new methods are distinctive in that they are based entirely on the ice-phase hydrometeor fields generated by regional cloud-resolving numerical simulations, such as those produced by the WRF model. These methods are justified by established observational evidence linking aspects of the precipitating ice hydrometeor fields to total flash rates. The methods are straightforward and easy to implement, and offer an effective near-term alternative to the incorporation of complex and costly cloud electrification schemes into numerical models. One method is based on upward fluxes of precipitating ice hydrometeors in the mixed phase region at the-15 C level, while the second method is based on the vertically integrated amounts of ice hydrometeors in each model grid column. Each method can be calibrated by comparing domain-wide statistics of the peak values of simulated flash rate proxy fields against domain-wide peak total lightning flash rate density data from observations. Tests show that the first method is able to capture much of the temporal variability of the lightning threat, while the second method does a better job of depicting the areal coverage of the threat. Our blended solution is designed to retain most of the temporal sensitivity of the first method, while adding the improved spatial coverage of the second. Exploratory tests for selected North Alabama cases show that, because WRF can distinguish the general character of most convective events, our methods show promise as a means of generating quantitatively realistic fields of lightning threat. However, because the models tend to have more difficulty in predicting the instantaneous placement of storms, forecasts of the detailed location of the lightning threat based on single simulations can be in error. Although these model shortcomings presently limit the precision of lightning threat forecasts from individual runs of current generation models,the techniques proposed herein should continue to be applicable as newer and more accurate physically-based model versions, physical parameterizations, initialization techniques and ensembles of forecasts become available.
McCaul, Eugene W., Jr.↗
Shock-driven three-fluid mixing with various chevron interface configurations
When a shock wave crosses a density interface, the Richtmyer–Meshkov instability causes perturbations to grow. Richtmyer–Meshkov instabilities arise from the deposition of vorticity from the misaligned density and pressure gradients at the shock front. In many engineering applications, microscopic surface roughness will grow into multi-mode perturbations, inducing mixing between the fluid on either side of an initial interface. Applications often have multiple interfaces, some of which are close enough to interact in the later stages of instability growth. In this study, we numerically investigate the mixing of a three-layer system with periodic zigzag (or chevron) interfaces, calculating the dependence of the width and mass of mixed material on properties such as the shock timing, chevron amplitude, multi-mode perturbation spectrum, density ratio, and shock mach number. The multi-mode case is also compared with a single-mode perturbation. The Flash hydrodynamic code is used to solve the Euler equations in three dimensions with adaptive grid refinement. Key results include a significant increase in mixed mass when changing from a single-mode to a multi-mode perturbation on one of the interfaces. The mixed width is mainly sensitive to the density ratio and chevron amplitude, whereas the mixed mass also depends on the multi-mode spectrum. In conclusion, steeper initial perturbation spectra have lower mixed mass at early times but a greater mixed mass after the reflected shock transits back across the layer.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Property Measurements of NaCl-UCl 3 and LiF-NaF-KF Molten Salts Doped with Surrogate Fission Products
Knowing thermophysical and thermochemical property values of salts over the expected range of operating temperatures is essential to modeling and simulation efforts that support the commercialization of molten salt reactor (MSR) technologies. Salt properties being measured at Argonne include thermal transitions, phase behavior, heat capacity, density, surface tension, volumetric thermal expansion, thermal diffusivity, thermal conductivity, and viscosity. The properties of several salts of interest including NaCl-UCl 3 and LiF-NaF-KF (FLiNaK) have been measured at Argonne and reported previously. These property measurements are suitable for use in evaluating reactor performance during startup and the early operating life of the reactor. The physical and chemical behavior of the fuel salt is altered by the buildup of fission products and the resulting changes in heat transfer and other properties must be understood by reactor developers. This report summarizes melting behavior, heat capacity, and thermal diffusivity values that were measured for mixtures of FLiNaK and NaCl-UCl 3 salts that have been doped with surrogate fission products. Additional heat capacity measurements were also performed on a separate mixture of FLiNaK without dopants. Measured properties are suitable for incorporation into the Molten Salt Thermal Properties Database–Thermochemical (MSTDB–TC) and the Molten Salt Thermal Properties Database–Thermophysical (MSTDB–TP) to support the development of MSRs. Salts were prepared by doping eutectic mixtures of NaCl-UCl 3 and FLiNaK with surrogate fission products. These salts were prepared for use in salt spill experiments being performed at Argonne and were subsequently used for thermal property measurements. Thermal transitions and heat capacities were measured by using differential scanning calorimetry (DSC) and thermal diffusivity was measured by using laser flash analysis (LFA) at temperatures spanning the typical MSR operating range. The measured property values of the doped salts were compared to measured property values of salts without fission products to quantify the effects of the doped fission products.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Effect of Silver Nanoparticles on the Photophysics of Riboflavin: Consequences on the ROS Generation
Metal-enhanced singlet oxygen, O 2 ( 1 Δg), generation is a desirable effect to augment the amount of O 2 ( 1 Δg) produced upon irradiation of organic sensitizers. Herein, we employed pectin for stabilizing 9 nm silver nanoparticles and showed that these particles are able to form a ground-sate complex with riboflavin (Rf). Pump–probe transient absorption spectroscopy and laser flash-photolysis experiments proved that the excited state of the riboflavin–Ag complex feeds the triplet state of the sensitizer, which results in an enhanced intersystem crossing process. We note the higher amounts of riboflavin triplet states formed in the presence of the nanoparticles result in higher yields of singlet oxygen and hydrogen peroxide produced in the irradiated colloidal suspensions. As a result, not only the effect on singlet oxygen but also the effect on superoxide radical ion should contribute to a better performance of Riboflavin as a sensitizer applied to the photodynamic therapy of tumors.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Forecasting Lightning Threat using Cloud-resolving Model Simulations
As numerical forecasts capable of resolving individual convective clouds become more common, it is of interest to see if quantitative forecasts of lightning flash rate density are possible, based on fields computed by the numerical model. Previous observational research has shown robust relationships between observed lightning flash rates and inferred updraft and large precipitation ice fields in the mixed phase regions of storms, and that these relationships might allow simulated fields to serve as proxies for lightning flash rate density. It is shown in this paper that two simple proxy fields do indeed provide reasonable and cost-effective bases for creating time-evolving maps of predicted lightning flash rate density, judging from a series of diverse simulation case study events in North Alabama for which Lightning Mapping Array data provide ground truth. One method is based on the product of upward velocity and the mixing ratio of precipitating ice hydrometeors, modeled as graupel only, in the mixed phase region of storms at the -15\dgc\ level, while the second method is based on the vertically integrated amounts of ice hydrometeors in each model grid column. Each method can be calibrated by comparing domainwide statistics of the peak values of simulated flash rate proxy fields against domainwide peak total lightning flash rate density data from observations. Tests show that the first method is able to capture much of the temporal variability of the lightning threat, while the second method does a better job of depicting the areal coverage of the threat. A blended solution is designed to retain most of the temporal sensitivity of the first method, while adding the improved spatial coverage of the second. Weather Research and Forecast Model simulations of selected North Alabama cases show that this model can distinguish the general character and intensity of most convective events, and that the proposed methods show promise as a means of generating quantitatively realistic fields of lightning threat. However, because models tend to have more difficulty in correctly predicting the instantaneous placement of storms, forecasts of the detailed location of the lightning threat based on single simulations can be in error. Although these model shortcomings presently limit the precision of lightning threat forecasts from individual runs of current generation models, the techniques proposed herein should continue to be applicable as newer and more accurate physically-based model versions, physical parameterizations, initialization techniques and ensembles of cloud-allowing forecasts become available.
McCaul, E. W., Jr.↗
Spectral Hardness of X- and Gamma-Ray Emissions From Lightning Stepped and Dart Leaders
During the 2022 New Mexico monsoon season, we deployed two X-ray scintillation detectors, coupled with a 180 MHz data acquisition system to detect X-rays from natural lightning at the Langmuir Lab mountain-top facility, located at 3.3 km above mean sea level. Data acquisition was triggered by an electric field antenna calibrated to pick up lightning within a few km of the X-ray detectors. We report the energies of over 240 individual photons, ranging between 13 keV and 3.8 MeV, as registered by the LaBr3(Ce) scintillation detector. These detections were associated with four lightning flashes. Particularly, four-stepped leaders and seven dart leaders produced energetic radiation. Importantly, the reported photon energies allowed us to confirm that the X-ray energy distribution of natural stepped and dart leaders follows a power-law distribution with an exponent ranging between 1.09 and 1.96, with stepped leaders having a harder spectrum. Characterization of the associated leaders and return strokes was done with four different electric field sensing antennas, which can measure a wide range of time scales, from the static storm field to the fast change associated with dart leaders.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Optical phase conjugation by four-wave mixing in Nd:YAG laser oscillator for optical energy transfer to a remote target
A self-starting phase conjugator was designed for optical energy transfer to a remote target. Saturable-gain four-wave mixing in a laser resonator was achieved using a flash-lamp pumped Nd:YAG crystal and phase-conjugate light (PCL) generation were verified. Wavefront correction experimentation revealed that beam wander caused by air turbulence is compensated. Tracking capability was demonstrated in the range of 9 mrad with tracking accuracy of ±0.04 mrad. The maximum field of view was measured to be 4.7°. Dependence of phase-conjugate light energy on reference light energy was investigated. The maximum output of 320 mJ was obtained. The temporal behavior of PCL is discussed based on the four-wave mixing mechanism. Unlike a conventional loop resonator type phase conjugator, this system is applicable for wireless energy transfer to a remote target.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗