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At least 1,315 records · Page 73

Advanced Computational Modeling of High-Level Waste Vitrification at the Hanford Site

The U.S. Department of Energy (DOE) has selected vitrification for stabilizing legacy tank waste at the Hanford site, where radioactive waste from plutonium production was historically stored in underground tanks. This waste will be separated into low-activity waste (LAW) and high-level waste (HLW) fractions and processed at the Waste Treatment and Immobilization Plant (WTP). At WTP, glass melters are used for the vitrification of radioactive tank waste, transforming it into a stable borosilicate glass form for safe long-term storage. The melter vessel is constructed from highly durable and heat-resistant materials, where the vitrification process occurs. The main regions that are modeled are the melt pool, plenum, cold cap, riser/discharge chamber, and surrounding structure with insulation layers. Forced convection induced by air bubblers at the base of the melter ensure uniform temperature distribution and provide heat to the cold cap layer. The cold cap is a region of reacting batch feed that floats on top of the molten glass and is where the batch-to-glass reactions occur. Joule heating provided by electrodes mounted along the vertical walls of the melter and immersed directly in the glass, generates the necessary heat for the net endothermic conversion processes that occur in the cold cap. The high temperatures, radioactivity, and opaque nature of the glass prevent direct observation inside the melters. Therefore, computational models are essential for providing insight into factors that affect melter throughput. Thermocouples in the plenum provide operators with plenum temperature measurements. Operational adjustments include bubbling rate, voltage supplied to the electrodes, feed adjustments, and glass removal rate. Different computational fluid dynamics (CFD) models have been developed, each serving a specific purpose. There are CFD models of different scale melters, as well as models that capture the two-phase flow interfaces of rising bubbles in the molten glass or models with a simplified molten glass region so that the surrounding structure and plenum can be feasibly incorporated. Pilot-scale melter models have been developed to serve as validation of the methods employed in the simulation of the full-scale WTP melters. Models incorporating resolved bubbling are used to develop momentum source terms to implement into a single phase, multi-region, steady-state flow model that is being validated by measured process parameters such as glass production rate, voltage, input power, plenum temperatures, etc. The resolved bubbling model uses the multiphase volume of fluid approach to model the system with a high-resolution interface capturing scheme to maintain sharp interfaces between the molten glass and the air phase. The suite of CFD models is continually being improved to incorporate more realistic physics and achieve faster turnaround time. For example, an incremental controller is implemented to automatically adjust electrode voltage within the simulation to a molten glass set point temperature of 1150°C. Newer models feature improved meshes to ensure conformal meshes between regions and eliminate unnecessary mesh refinement in areas that are not of interest (such as boundary layers in offgas ports). Instead of explicitly modeling the structural, refractory, and insulation layers of the melter, a thermal resistance approach is used with published correlations used for boundary conditions. The development of robust and efficient CFD models will be instrumental in enabling the WTP to successfully fulfill its mission of safely stabilizing legacy nuclear waste.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

Evaluating the carbon footprint of the integrated DBD‐plasma bi‐reforming unit via laboratory scale experiments and scaled‐up process modeling

Catalytic dielectric barrier discharge (DBD) plasma reactor experiments were performed in a tubular glass reactor with a 2 mm gap at 550°C to facilitate the reaction kinetics of steam added dry reforming or bireforming. The best specific energy input obtained was 11.2 eV/molecule feed at CO 2 :CH 4 :H 2 O of 4.5:1:4.5 ratio and gas hour space velocity (GHSV) = 432 h −1 . This value was used to design a conceptual process and assess the environmental impact of methane steam reforming-based H 2 production 18.4 kmol/h CO 2 emission processing into H 2 :CO = 2 syngas, with an emphasis on the carbon footprint.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Two Mesoporous Domains Are Better Than One for Catalytic Deconstruction of Polyolefins

Catalytic hydrogenolysis of polyolefins into valuable liquid, oil, or wax-like hydrocarbon chains for second-life applications is typically accompanied by the hydrogen-wasting co-formation of low value volatiles, notably methane, that increase greenhouse gas emissions. Catalytic sites confined at the bottom of mesoporous wells, under conditions in which the pore exerts the greatest influence over the mechanism, are capable of producing less gases than unconfined sites. A new architecture was designed to emphasize this pore effect, with the active platinum nanoparticles embedded between linear, hexagonal mesoporous silica and gyroidal cubic MCM-48 silica (mSiO 2 /Pt/MCM-48). This catalyst deconstructs polyolefins selectively into ~C 20 –C 40 paraffins and cleaves C–C bonds at a rate (TOF = 4.2 ± 0.3 s –1 ) exceeding that of materials lacking these combined features while generating negligible volatile side products including methane. The time-independent product distribution is consistent with a processive mechanism for polymer deconstruction. In contrast to time- and polymer length-dependent products obtained from non-porous catalysts, mSiO 2 /Pt/MCM-48 yields a C 28 -centered Gaussian distribution of waxy hydrocarbons from polyolefins of varying molecular weight, composition, and physical properties, including low-density polyethylene, isotactic polypropylene, ultrahigh-molecular-weight polyethylene, and mixtures of multiple, post-industrial polyolefins. Here, coarse-grained simulation reveals that the porous-core architecture enables the paraffins to diffuse away from the active platinum site, preventing secondary reactions that produce gases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NEON AOP Survey of Upper East River CO Watersheds: LAZ Files, LiDAR Surface Elevation, Terrain Elevation, and Canopy Height Rasters

Lawrence Berkeley National Laboratory (LBNL) contracted the National Ecological Observatory Network Airborne Observation Platform (NEON AOP) to observe watersheds of interest surrounding Crested Butte, CO with remotely sensed data, including LiDAR. The flight box design encompassed the watersheds, surveying a total area of 334 km2 across 72 lines. The instrument used was an Optech Gemini, with a pulse density of 2-9 pulses m-2 across the study area (see final report document for detailed information (Goulden and Musinsky 2020). These LiDAR data are the primary data that were provided by NEON, and include both LiDAR source data and derived surface products. The source data are contained in 'crbu_laz.zip' and 'classified_point_cloud.zip. 'classified_point_cloud.zip' represents an additional processing level on 'crbu_laz.zip'. The derived products are 'dsm_mosaic_min_phase_me.tif', 'dtm_mosaic_min_phase_me.tif', and 'tch_mosaic_min_phase_me.tif'. These files are raster mosaics of a digital surface elevation model (DSM), digital terrain elevation model (DTM), and a canopy height model (CHM) at 1 m resolution with a height threshold of > 2 m, respectively, in geotiff (.tif) format. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. [UPDATE] On 06/26/2026 the files 'crbu_laz.zip' and 'classified_point_cloud.zip' were replaced with original output files from NEON to address zip file corruption and naming errors. No changes were made to the underlying data. (See Methods Step 2 for details).

2018 NEON and 2025 CHESS Campaigns↗

Aerosol Optical Depth Value-Added Product Report

This document describes the process applied to retrieve aerosol optical depth (AOD) from multifilter rotating shadowband radiometers (MFRSR) and normal incidence multifilter radiometers (NIMFR) operated at the ARM Climate Research Facility’s ground-based facilities.

54 ENVIRONMENTAL SCIENCES↗

Gamma Rays from Kilonova: A Potential Probe of r-process Nucleosynthesis

The mergers of compact binaries with at least one neutron star component are the potential leading sites of the production and ejection of r-process elements. Discoveries of galactic binary pulsars, short gamma-ray bursts, and gravitational-wave detections have all been constraining the rate of these events, while the gravitational wave plus broadband electromagnetic coverage of binary neutron star merger (GW170817) has also placed constraints on the properties (mass and composition) of the merger ejecta. But uncertainties and ambiguities in modeling the optical and infrared emission make it difficult to definitively measure the distribution of heavy isotopes in these mergers. In contrast, gamma rays emitted in the decay of these neutron-rich ejecta may provide a more direct measurement of the yields. We calculate the gamma production in remnants of neutron star mergers, considering two epochs: a kilonova epoch, lasting about two weeks, and a much later epoch of tens and hundreds of thousands of years after the merger. For the kilonova epoch, when the expanding ejecta is still only partially transparent to gamma radiation, we use 3D radiative transport simulations to produce the spectra. Futhermore, we show that the gamma-ray spectra associated with beta- and alpha-decay provide a fingerprint of the ejecta properties and, for a sufficiently nearby remnant, may be detectable, even for old remnants. We compare our gamma spectra with the potential detection limits of next generation detectors, including the Lunar Occultation Explorer (LOX), the All-sky Medium Energy Gamma-ray Observatory (AMEGO), and the Compton Spectrometer and Imager (COSI). We show that fission models can be discriminated via the presence of short-lived fission fragments in the remnant spectra.

79 ASTRONOMY AND ASTROPHYSICS↗

(Invited) Utilization of Bio-CO 2 and Bio-Methane for Fuel Production: Integration Solid Oxide Electrolyzer, Low Energy Plasma Reformer with Fischer-Tropsch Synthesis

Transition to renewable energy is essential to achieve climate protection objectives. Besides storing electricity for later use, fuel production using renewable energy is an essential part of reducing fossil dependance. The highest value application in current markets is the production of liquid transportation fuels such as sustainable aviation fuels (SAF) from sustainable, ideally biogenic carbon resources. A system is presented for processing anaerobic digester gas for liquid hydrocarbon production. Bio-CO 2 is processed through a solid oxide electrolysis cell and bio-CH 4 through a low energy plasma reformer. The combined synthesis gas is supplied to a Fischer-Tropsch reactor for the production of liquid hydrocarbons. The combination of technologies nearly doubles the yield of biofuel by utilizing the bio-CO 2 in addition to the bio-CH 4 . Here, the product fuel is all bio-carbon but it also embodies renewable electric energy in a high-value, storable and transportable liquid hydrocarbon.

09 BIOMASS FUELS↗

Efficient low-temperature, catalyst-free dehydrogenation of alkanes

Steam cracking of ethane, a non-catalytic thermochemical process, remains the dominant means of ethylene production. The severe reaction conditions and energy expenditure involved in this process incentivize the search for alternative reaction pathways and reactor designs which maximize ethylene yield while minimizing cost and energy input. According to the present invention, ethylene yields as high as 68% were obtained with a quartz open tube reactor without the use of a catalyst or a cofed stream of oxidizing agents. The open tube reactor design promotes simplicity, low cost, and negligible coke formation. Reactor designs can be optimized to improve the conversion of ethane to ethylene via non-oxidative dehydrogenation, an approach which shows promise for decentralized production of ethylene from natural gas deposits.

Riley, Christopher Ryan↗

Improved manufacturability of vacuum thermoforming molds by segmentation

Thin polymer shell components used in consumer goods, the automotive industry, and marine applications are often produced by thermoforming. Depending on the quantity of parts, molding processes can increase throughput significantly when compared to processes such as milling or additive manufacturing. One disadvantage to mold-based manufacturing methods, however, is that molds must be produced to form the required geometry. Mold production is often complex and requires a large capital investment. For large-scale molding processes, mold production is sometimes complicated by the requirement for large working volume machine tools which are capable of machining the cavities to the appropriate tolerances for the selected molding process. Here, this paper focuses on a segmented design for a large draw ratio (>3:1 molded surface area to sheet surface area) thermoforming mold and a cost-benefit analysis of segmentation versus monolithic design. Discussion of the thermoforming tests are included. The primary goals were to improve manufacturability and reduce the overall cost of the mold.

Manufacturability↗

Chapter 21: Sustainable Technologies for Seaweed Conversion to Biofuels and Bioproducts

Seaweeds are attractive candidates to supply the future sustainable, photosynthetic, bioenergy feedstocks thanks to their cultivation promise in offshore marine farms, with year-round production, and no external nutrient requirements. Despite this potential, there are significant challenges associated with realizing both the cultivation and harvesting logistics, as well as in developing an efficient conversion platform to fuels and products. Effective and scalable and economically viable conversion processes tailored to a seaweed are discussed in detail and gaps on identified needs for yield and efficiency improvements. Among the conversion processes discussed here, anaerobic fermentation of seaweeds to bioenergy products, including organic acids and biomass, is promising to disrupt the current bioenergy landscape.

anaerobic digestion↗

Ethylene oxidation on unpromoted silver catalysts: Reaction pathway and selectivity analysis using DFT calculations

Chemical conversions in catalytic partial oxidation processes of light hydrocarbons are responsible for the production of numerous industrial chemicals, plastics, and intermediates. These processes are relatively expensive to perform, and are typically operated at high thermodynamic inefficiency, so the development of novel, highly efficient catalysts would prove to be very cost effective. Herein, our study focused on surface catalytic mechanisms of the ethylene oxide (EO) formation process. Periodic plane-wave Density Functional Theory (DFT) methods were used to analyze related reaction mechanisms on the Ag(111) surface facet with low coverage. Energetic changes of related species and pathways were calculated. Key surface species are identified to suggest the factors for the observed selectivity during EO formation. Our results are consistent with previous kinetic modeling efforts in the literature which did not employ DFT analysis. Lastly, our study demonstrates how fundamental theoretical investigations and multi-scale modeling techniques are currently impacting the advancement of rational catalyst design and microkinetic modeling techniques in the light hydrocarbon processing industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

r -process nucleosynthesis and kilonovae from hypermassive neutron star post-merger remnants

ABSTRACT We investigate r-process nucleosynthesis and kilonova emission resulting from binary neutron star (BNS) mergers based on a three-dimensional (3D) general-relativistic magnetohydrodynamic (GRMHD) simulation of a hypermassive neutron star (HMNS) remnant. The simulation includes a microphysical finite-temperature equation of state (EOS) and neutrino emission and absorption effects via a leakage scheme. We track the thermodynamic properties of the ejecta using Lagrangian tracer particles and determine its composition using the nuclear reaction network SkyNet. We investigate the impact of neutrinos on the nucleosynthetic yields by varying the neutrino luminosities during post-processing. The ejecta show a broad distribution with respect to their electron fraction Ye, peaking between ∼0.25–0.4 depending on the neutrino luminosity employed. We find that the resulting r-process abundance patterns differ from solar, with no significant production of material beyond the second r-process peak when using luminosities recorded by the tracer particles. We also map the HMNS outflows to the radiation hydrodynamics code SNEC and predict the evolution of the bolometric luminosity as well as broadband light curves of the kilonova. The bolometric light curve peaks on the timescale of a day and the brightest emission is seen in the infrared bands. This is the first direct calculation of the r-process yields and kilonova signal expected from HMNS winds based on 3D GRMHD simulations. For longer-lived remnants, these winds may be the dominant ejecta component producing the kilonova emission.

79 ASTRONOMY AND ASTROPHYSICS↗

EMSL-Computing/CoreMS-Portal

Software that orchestrate data processing and management for mass spectrometry workflows and data products. Stack presented contains a web application, data processing job scheduling, and data processing workers for data processing and management.

Corilo, Yuri↗

Modifications to LEU-Modified Cintichem Process to Allow Processing of Fission-Produced 99 Mo from Up to 750 g of Irradiated Uranium Targets

Eden Radioisotopes, LLC is developing a TRIGA* -sized, 2 MW all-target reactor system licensed from Sandia National Laboratories. This all-target reactor uses up to 60 Argonne-designed annular LEU-foil targets to produce fission-produced 99 Mo. The Eden low-enriched uranium (LEU) target contains ~137 g of uranium and will be irradiated at up to 30 kW, with a target burnup determined by the number of targets processed each week. The annular target utilizes metallic uranium foils 400 mm long by 72 mm wide by 250±25 -µm-thick covered by a thin (10 µm on each face) nickel fission barrier. The foil is placed between two 35 mil aluminum tubes that form the outer and inner walls of the cladding cylinder, which is hydroformed to provide high thermal conductivity within the target. Eden expects to process between three and five targets per process batch, to maintain the process batch 99 Mo inventory at or below 5000 curies to maintain high 99 Mo recovery, within a few hours of discharge from the reactor. Eden expects to meet full U.S. demand by processing 30 targets per week, with each target operated for two weeks at 30 kW. To meet less than full U.S. demand, both the target power and the number of targets processed weekly will be adjusted. With increased 99 Mo production and given the size of U targets processed in a single batch (up to ~750g-U), it is important to identify whether any modifications are needed to the LEU-modified Cintichem process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Measurement of charged-current $\nu_\mu$ and $\bar{\nu}_\mu$ cross sections on hydrocarbon in a shallow inelastic scattering region

This MINERvA analysis is the first neutrino and antineutrino study of a shallow inelastic scattering region, which is the transition region between resonant production and deep inelastic scattering processes. This transition is explicitly included in this study by expanding the scope of shallow inelastic scattering to include not only the mainly lower-$Q^2$ nonresonant pion production but also the kinematic region where pion production off quarks within the nucleon becomes significant with $Q^2$ below the onset of the deep-inelastic scattering region defined in this analysis. To reduce the resonance background the kinematic region 1.5 $<$$W$$<$ 2 GeV/$c^2$ was chosen. In addition to the inclusive differential cross section measurements, to emphasize SIS interactions off quarks within the nucleon a sample with $Q^2$$\geq$ 1 GeV/$c^2$ was also analyzed. The measurements of one-dimensional cross sections at $\left\langle E_\nu \right\rangle \sim 6$ GeV on hydrocarbon of $Q^2$, Bjorken x and muon momentum variables are compared with modified predictions from the GENIE 2 neutrino generator as well as predictions of other neutrino simulators GiBUU, NEUT, NuWro and an alternative GENIE 3 version. Significant discrepancies both in shape and magnitude between measurements and neutrino simulator predictions of all variables have been observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Elucidating the Dynamics of Electroweak Symmetry Breaking through Study of High-Multiplicity Boson Final States at the LHC

To understand the full story of the electroweak symmetry breaking (EWSB) and how the universe arrived at today’s universe, the structure of the Higgs potential needs to be probed. We must carefully select and study processes at the LHC that are sensitive to the Higgs potential. In this context, longitudinal vector boson scattering (VBS) processes, V L V L →V L V L , and di-Higgs production, including V L V L →HH at the LHC have been studied for any potential deviation from SM prediction. However, many classes of models beyond the Standard Model (BSM) may result in the 2→2 process being perfectly well-behaved and SM-like but show interesting deviations in 2→3, 2→4, or 2→n(3) processes. If we are to complete the mission objectives the P5 laid out, then a large swath of 2→n(3) must be thoroughly searched and checked. The research supported by this award used data collected at the Compact Muon Solenoid (CMS) detector at the Large Hadron Collider (LHC) to explore VBS produced VVH process in the semi-merged channel. In addition, in the electroweak sector, there are open questions in the multi-gauge boson couplings and the Higgs couplings to the gauge bosons. The research supported by the award also studied the triboson production WWZ process at the LHC, which is a crossed diagram of a VBS process. During the funded period of 9 months, the analysis designs have been finalized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Molten salt electrolysis and room temperature ionic liquid electrochemical processes for refining rare earth metals: Environmental and economic performance comparison

Circularizing end of life products such as electronic waste can open a new source for rare earth elements (REEs) that will decrease the demand pressure on conventional virgin production. The last step to produce REEs consists of a refining process to convert rare earth oxide (REO) to REE metal. One promising technology is processing REO via a room temperature ionic liquid, which is characterized by low energy requirements in contrast to existing REEs extraction processes. In this work, life cycle and techno-economic assessments are performed and compared against molten salt electrolysis. Here, the results show that both processes have advantages and disadvantages in terms of environmental performance, and that they are similarly competitive in terms of economic performance. A breakeven analysis suggests that future research should focus on coupling the production of REOs with the refining processes to attempt to lower REO cost and make them economically feasible in the U.S.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Achieving high ethylene yield in non-oxidative ethane dehydrogenation

Steam cracking of ethane, a non-catalytic thermochemical process, remains the dominant means of ethylene production. The severe reaction conditions and energy expenditure involved in this process incentivize the search for alternative reaction pathways and reactor designs which maximize ethylene yield while minimizing cost and energy input. Herein, we report a comparison of catalytic and non-catalytic non-oxidative dehydrogenation of ethane. We achieve ethylene yields as high as 67 % with an open tube quartz reactor without the use of a catalyst at residence times ~4 s. The open tube reactor design promotes simplicity, low cost, and negligible coke formation. Pristine quartz tubes were most effective, since coke formation was detected when defects were introduced by scratching the surface of the quartz. Surprisingly, the addition of solids to the quartz tube, such as quartz sand, alumina powder, or even Pt-based intermetallic catalysts, led to lower ethylene yield. Pt alloy catalysts are effective at lower temperatures, such as at 575 °C, but conversion is limited due to thermodynamic constraints. When operated at industrially relevant temperatures, such as 700 °C and above, these catalysts were not stable in our tests, causing ethylene yield to drop below that of the open tube. Furthermore, these results suggest that future research on non-oxidative dehydrogenation should be directed at optimizing reactor designs to improve the conversion of ethane to ethylene, since this approach shows promise for decentralized production of ethylene from natural gas deposits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗