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At least 253 records · Page 14

Durability of ABC Team Wall Assemblies

This study evaluates the long-term hygrothermal durability of four advanced retrofit wall systems using a field test facility located in Hollywood, South Carolina, representative of a mixed-humid coastal climate (Zone 3). The research focuses on assessing the thermal and moisture performance of a baseline wall assembly retrofitted with (1) Tremco/Dryvit prefabricated panel systems (Revitalite and Fedderlite), (2) Reinforced Fiberglass Plastic (RFP) panels developed by Oak Ridge National Laboratory (ORNL), and (3) Vacuum Insulated Panels (VIP) integrated with EPS by Home Innovation Research Labs (HIRL) and ORNL. A baseline wall representing a typical uninsulated wood-frame construction was used for comparison.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a 10 multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory (DFT). The shear modulus model for the ambient β phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the β phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress-strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston-Tonks-Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to 10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability 20 of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid-liquid but never fully liquid state, never fully lost strength, 25 stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗

Demonstration of Better than Diesel Efficiency and Soot Emissions using Gasoline Compression Ignition in a Light Duty Engine with a Fuel Pressure Limitation

Increasing regulatory demand to reduce CO2 emissions has led to a focus on advanced combustion strategy development to improve overall engine efficiency. Gasoline compression ignition (GCI) has been demonstrated by others to have the potential to meet future CO2 regulations and emissions while achieving comparable to better efficiency than conventional diesel compression ignition (DCI). Soot and NOx emissions are also reduced significantly by using gasoline instead of diesel in compression ignition engines due to differences in composition, fuel properties, and reactivity. In comparison with diesel fuel, gasoline has a higher volatility and more resistance to autoignition, therefore, its longer ignition delay time will allow for better mixing of the air-fuel charge before combustion. In this study, a GCI combustion system has been tested in a Hyundai 2.2L engine as part of a US Department of Energy funded project. A double-injection strategy was tested from mid-to-high loads (5-20 bar BMEP) and for engine speeds in the range of 1200-3000 rpm. Up to 43.4% brake thermal efficiency was achieved using the GCI mode versus 41% using DCI mode. The GCI mode has demonstrated two distinct strategies that work at different load ranges, partially premixed compression ignition (PPCI) and mixing-controlled compression ignition (MCCI). Overall, this study shows that for similar engine-out NOx levels, GCI mode had higher brake thermal efficiency than DCI with lower fuel pressure and EGR required.

02 PETROLEUM↗

Tungsten–carbon surface evolution and erosion modeling for a small angle slot divertor in DIII-D

Abstract We modeled tungsten–carbon mixed surface evolution, sputtering erosion, and transport for the tungsten coated region of a small angle slot (SAS) divertor design for the DIII-D tokamak. This divertor concept aims to achieve a closed slot dissipative plasma to minimize heat load and surface erosion, and to study high- Z material performance. Our advanced simulations use coupled ITMC-DYN material mixing/response and 3D full kinetic REDEP/WBC erosion/redeposition code packages, with divertor plasma solution from the SOLPS-ITER package with 4 MW power input. The SAS design geometry and resulting in-slot plasma parameters cause significant differences in predicted sputter/transport from a conventional divertor. For 2% C/D incident plasma ratio, an equilibrium mixed C/W surface is attained at ∼30 s of discharge, from wall sputtered carbon transported to the 10 cm long tungsten divertor region. Tungsten remains exposed to the plasma, but the evolved surface composition varies with different C/D ratios. Tungsten is primarily sputtered from the mixed surface by impinging carbon ions in the +1 to +4 charge states, with some self-sputtering. Redeposition of sputtered tungsten to the divertor is significant, ∼80% along the higher plasma temperature attached plasma SAS entrance region, but this is less than the typically near-unity values for a conventional divertor. Plasma-incident carbon is highly backscattered (∼50%) from the mixed surface, with little redeposition (<10%); this helps maintain tungsten in the surface sputter zone. Carbon is mainly sputtered from the mixed surface by D + ions, also with low redeposition (∼10%–30%). Finally, the modeling shows non-zero but low sputtered tungsten current from the divertor to the core plasma direction. These results appear favorable for effective testing of a tungsten-containing SAS divertor in DIII-D, and extrapolation of mixed-material evolution/response findings to the analogous low- Z /high- Z , Be/W, ITER plasma facing system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Comparison of the performance of TLD, OSL and RPL personal dosimetry systems to the American National Standard Institute (ANSI) test categories

The Laboratory Accreditation Program (LAP) tests the capability and performance of the United States Department of Energy's (USDOE) facilities to accurately measure and quantify the whole-body and extremity radiation equivalent doses to the occupational workers. The dosimetry methods used in personal dosimetry can be Thermoluminescence (TL), Optically Stimulated Luminescence (OSL) and Radiophotoluminescence (RPL), among other techniques available. Currently, the TL (LiF:Mg,Ti) and OSL (Al 2 O 3 :C) dosimetry systems are DOELAP-accredited for occupational dose measurements and regulatory reporting. In this study, the performance of a beryllium oxide (BeO) OSL dosimetry system and of a silver-doped phosphate glass RPL dosimetry system is compared against the performance of an accredited LiF:Mg,Ti TL dosimetry system. The bias and standard deviation in each of the performance test categories are compared between these three systems for exposures to photons, beta, and mixed radiation fields with the criteria established by the American National Standard Institute (ANSI) and Health Physics Society (HPS) N13.11-2022 standard. The practical implementation of the dosimetry program and its equivalency to the occupational personal equivalent dose H p (0.07) and H p (10) measurements were evaluated. The TL, OSL and RPL dosimetry systems passed the ANSI performance test criteria for H p (0.07) and H p (10) occupational dose measurements and met the DOELAP accreditation requirements.

61 RADIATION PROTECTION AND DOSIMETRY↗

Scalable qubit representations of neutrino mixing matrices

Oscillating neutrino beams exhibit quantum coherence over distances of thousands of kilometers. Their unambiguously quantum nature suggests an appealing test system for direct quantum simulation. Such techniques may enable presently analytically intractable calculations involving multi-neutrino entanglements, such as collective neutrino oscillations in supernovae, but only once oscillation phenomenology is properly re-expressed in the language of quantum circuits. Here we resolve outstanding conceptual issues regarding encoding of arbitrarily mixed neutrino flavor states in the Hilbert space of an n-qubit quantum computer. We introduce algorithms to encode mixing and oscillation of any number of flavor-mixed neutrinos, both with and without CP-violation, with an efficient number of prescriptive input parameters in terms of sub-rotations of the PMNS matrix in standard form. As a result, examples encoded for an IBM-Q quantum computer are shown to converge to analytic predictions both with and without CP-violation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Pilot Scale Testing of Lignite Adsorption Capability and the Benefits for the Recovery of Rare Earth Elements from Dilute Leach Solutions

Naturally occurring organic materials containing humic acids show a strong affinity towards rare earth elements (REE) and other critical elements. Leaching experiments on lignite coal waste produced from construction sand production revealed that the contained REEs were associated with the organic matter. Furthermore, adsorption studies revealed that the lignite waste was capable of extracting REEs from a model solution and increased the REE content of the lignite waste by more than 100%. As such, this study aimed to utilize the lignite waste to adsorb REEs from pregnant leach solutions and acid mine drainage sources having low REE concentrations and subsequently leach the lignite material to produce pregnant leach solutions containing relatively high amounts of REEs, which benefits the performance and economic viability of downstream separation and purification processes. An integrated flowsheet was developed based on this concept and tested at a pilot scale. The pregnant leachate solution (PLS) was generated from a heap leach pad containing 2000 tons of Baker seam coarse refuse. The pilot scale circuit was comprised of aluminum precipitation, adsorption using the waste lignite, and rare earth-critical metal (RE-CM) precipitation stages in succession. The results indicated that the aluminum precipitation stage removed over 88% and 99% of the Al and Fe, respectively. The adsorption stage increased the REE content associated with the waste lignite from 457 ppm to 1065 ppm on a whole mass basis. Furthermore, the heavy REE (HREE) content in the feedstock increased by approximately 250%, which raised the percentage of HREE in the REE distribution by 19 absolute percentage points. In addition to the REEs, concentrations of other critical elements such as Mn, Ni, and Zn also improved by 75%, 37%, and 250%, respectively. Bench-scale tests revealed that increasing the solids concentration in the waste lignite and PLS mix from 1% to 20% by weight enhanced the adsorption efficiency from 32.0% to 99.5%, respectively. As such, a new flowsheet was proposed which provides significantly higher REE concentrations in the PLS that can be fed directly to solvent extraction and/or oxalic acid precipitation and, thereby, enhancing process efficiency and economics.

58 GEOSCIENCES↗

Xanthos-Lake Dataset

The Xanthos-Lake v1.0 dataset provides the input data, trained machine-learning models, and simulation outputs needed to characterize lake water balance, snow and ice conditions, and mixing-layer temperature within the Xanthos global hydrological modeling framework. The dataset supports lake representation across a wide range of lake sizes and hydroclimatic conditions by combining xLSIM, a basin-specific machine-learning emulator of lake snow, ice, ice-cover fraction, and mixing-layer temperature, with the Xanthos-Lake water-balance model. The archive contains NetCDF datasets used to train and evaluate xLSIM, trained model weights, processed meteorological and lake-property inputs, and basin- and lake-category-specific simulation outputs. These materials are organized into four primary data groups, described below. Snowice_model_inputs: Contains the NetCDF input data used to train xLSIM. The xLSIM machine-learning framework uses three lake-based datasets. The meteorological forcing dataset provides monthly relative humidity, specific humidity, surface wind speed, maximum and minimum air temperature, downward longwave and shortwave radiation, snowfall, surface air pressure, and total precipitation. Lake surface area is included as an additional static predictor. The target-state dataset provides lake ice thickness, snow depth, snow cover, and lake mixing-layer temperature, while a companion lake-surface dataset provides the lake ice-cover fraction. Before training, ice thickness and snow depth are converted from meters to centimeters, mixing-layer temperature is converted from kelvin to degrees Celsius and constrained to nonnegative values, and ice-cover fraction is converted from a fraction to a percentage. The predictor variables are normalized using statistics calculated across the selected lakes and time steps. Snowice_model_outputs: Contains the NetCDF outputs generated by xLSIM. For each basin, xLSIM produces a file containing observed and predicted lake-state variables for the training, validation, and testing periods. The modeled variables include lake ice thickness, snow depth, snow cover, mixing-layer temperature, and lake ice-cover fraction. For basins without a sufficiently persistent snow-and-ice signal, the emulator predicts only mixing-layer temperature. The outputs also include training and validation loss histories, the selected model configuration, identifiers of the lakes used in training, and SHAP-based feature-importance information at the global, lake, and seasonal-regime levels. The trained machine-learning model weights are provided separately within the dataset archive. Together, these files support model evaluation and subsequent coupling with the Xanthos-Lake water-balance framework. XanthosLAKES: Contains the NetCDF input data used by the Xanthos-Lake framework. Monthly meteorological inputs include relative and specific humidity, downward shortwave and longwave radiation, mean, maximum, and minimum air temperature, wind speed, precipitation, snowfall, and surface air pressure. Static lake-property datasets provide lake identifiers, geographic locations, surface area, volume, mean depth, elevation, drainage area, fetch, outlet-routing information, and associated Xanthos grid-cell attributes. Separate bathymetric datasets provide the coefficients of the area–depth and volume–depth relationships for each aggregated lake unit. GLEV-based records provide observed lake surface area and evaporation data used to initialize lake states, define reference conditions, and calibrate and evaluate the model. Xanthos-Lake Outputs: Contains the basin- and lake-category-specific NetCDF outputs generated by Xanthos-Lake. Monthly variables include lake surface area, storage volume, outlet discharge, evaporation rate, evaporation volume, lake–groundwater exchange, lake inflow, ice thickness, snow depth, snow-cover fraction, ice-cover fraction, and mixing-layer temperature. The files also contain lake-specific calibration and validation statistics, including normalized root-mean-square error, mean absolute error, Nash–Sutcliffe efficiency, Kling–Gupta efficiency, and percent bias. Stored calibrated and derived parameters include the weir discharge coefficient, fractional freeboard, groundwater exchange coefficient, reference water level, corresponding reference surface area and storage volume, weir-width adjustment factor, and the fraction of routed inflow entering the lake. Basin identifiers, lake category, simulation period, calibration and validation periods, and parameter-schema information are retained as NetCDF metadata.

Abeshu, Guta [Pacific Northwest National Laborator↗

Development of Hydrogen Burner for FT4000® Aeroderivative Engine - Final Report

This report details an effort to develop a retrofittable fuel/air injector for the FT4000® aeroderivative gas turbine that enables use of hydrogen as a carbon-free fuel for efficient power generation. The FT4000 engine’s low-NOx combustor was developed by Pratt & Whitney and RTX Technology Research Center with core technology from the Pratt & Whitney PW4000 turbofan aircraft engine. The current FT4000 production engine operates on either natural gas or No. 2 fuel oil with water injection to achieve high thermal efficiency and low emissions. This engine is fielded by Mitsubishi Power Aero and delivers 70 MW of power with a simple-cycle efficiency of over 41% when operating with wet compression. The work reported here advances the technology readiness level of the FT4000 combustor for operation with hydrogen, starting with an experimental assessment of the current production hardware with increasing hydrogen content mixed with natural gas and ending with improved nozzle concepts for fully robust operation with 100% hydrogen. High-pressure single-sector combustor rig tests have been completed, demonstrating the ability for the dual fuel nozzle to operate an FT4000 combustor on 100% hydrogen with low nitrogen oxide (NOx) emissions. Metal temperature measurements and video images of the flame structure from zero to 100% hydrogen highlight opportunities to improve the fuel nozzle robustness for high hydrogen conditions. The design of new fuel/air mixer concepts to improve durability and operability with high hydrogen levels was also completed. A total of eleven new concepts were developed and analyzed, ranging from modifications to the bill-of-materials nozzle to fully clean sheet designs. The concepts were evaluated with non-reacting and reacting flow evaluations to assess the performance of the new hardware designs. Non-reacting tests included Phase Doppler Particle Analysis (PDPA) for droplet size and velocity, mechanical patternation for liquid water flux, and planar laser induced fluorescence (PLIF) with acetone-seeding for gaseous fuel/air mixing characterization. Five scaled candidate fuel nozzle designs, in addition to a scaled bill-of-materials nozzle, were then successfully evaluated in an atmospheric pressure burner rig. The nozzles were evaluated for performance with natural gas, hydrogen/natural gas blends, and pure hydrogen. For 100% hydrogen, the nozzles were evaluated with and without water injection. Optical and infrared imaging of the flame and fuel nozzle was captured. NOx emissions were sampled from fixed emissions probes. The results show measurable differences between the various designs, and the data was used to down-select the two most promising designs to advance to future full pressure rig testing. Results from this study have cleared the current production FT4000 engines with dual fuel nozzles to operate at baseload power on blends of hydrogen mixed with natural gas and water. Two promising nozzle designs have been developed to enable fully robust operation with up to 100% hydrogen. These nozzles require validation at full baseload operating conditions before they can be introduced to the field.

03 NATURAL GAS↗

Accuracy of Tau Positron Emission Tomography as a Prognostic Marker in Preclinical and Prodromal Alzheimer Disease: A Head-to-Head Comparison Against Amyloid Positron Emission Tomography and Magnetic Resonance Imaging

Importance: Tau positron emission tomography (PET) tracers have proven useful for the differential diagnosis of dementia, but their utility for predicting cognitive change is unclear. Objective: To examine the prognostic accuracy of baseline fluorine 18 ( 18 F)-flortaucipir and [18F]RO948 (tau) PET in individuals across the Alzheimer disease (AD) clinical spectrum and to perform a head-to-head comparison against established magnetic resonance imaging (MRI) and amyloid PET markers. Design, setting, and participants: This prognostic study collected data from 8 cohorts in South Korea, Sweden, and the US from June 1, 2014, to February 28, 2021, with a mean (SD) follow-up of 1.9 (0.8) years. A total of 1431 participants were recruited from memory clinics, clinical trials, or cohort studies; 673 were cognitively unimpaired (CU group; 253 [37.6%] positive for amyloid-β [Aβ]), 443 had mild cognitive impairment (MCI group; 271 [61.2%] positive for Aβ), and 315 had a clinical diagnosis of AD dementia (315 [100%] positive for Aβ). Exposures: [ 18 F]Flortaucipir PET in the discovery cohort (n = 1135) or [ 18 F]RO948 PET in the replication cohort (n = 296), T1-weighted MRI (n = 1431), and amyloid PET (n = 1329) at baseline and repeated Mini-Mental State Examination (MMSE) evaluation. Main outcomes and measures: Baseline [ 18 F]flortaucipir/[ 18 F]RO948 PET retention within a temporal region of interest, MRI-based AD-signature cortical thickness, and amyloid PET Centiloids were used to predict changes in MMSE using linear mixed-effects models adjusted for age, sex, education, and cohort. Mediation/interaction analyses tested whether associations between baseline tau PET and cognitive change were mediated by baseline MRI measures and whether age, sex, and APOE genotype modified these associations. Results: Among 1431 participants, the mean (SD) age was 71.2 (8.8) years; 751 (52.5%) were male. Findings for [ 18 F]flortaucipir PET predicted longitudinal changes in MMSE, and effect sizes were stronger than for AD-signature cortical thickness and amyloid PET across all participants (R 2 , 0.35 [tau PET] vs 0.24 [MRI] vs 0.17 [amyloid PET]; P < .001, bootstrapped for difference) in the Aβ-positive MCI group (R2, 0.25 [tau PET] vs 0.15 [MRI] vs 0.07 [amyloid PET]; P < .001, bootstrapped for difference) and in the Aβ-positive CU group (R 2 , 0.16 [tau PET] vs 0.08 [MRI] vs 0.08 [amyloid PET]; P < .001, bootstrapped for difference). These findings were replicated in the [ 18 F]RO948 PET cohort. MRI mediated the association between [ 18 F]flortaucipir PET and MMSE in the groups with AD dementia (33.4% [95% CI, 15.5%-60.0%] of the total effect) and Aβ-positive MCI (13.6% [95% CI, 0.0%-28.0%] of the total effect), but not the Aβ-positive CU group (3.7% [95% CI, -17.5% to 39.0%]; P = .71). Age (t = -2.28; P = .02), but not sex (t = 0.92; P = .36) or APOE genotype (t = 1.06; P = .29) modified the association between baseline [ 18 F]flortaucipir PET and cognitive change, such that older individuals showed faster cognitive decline at similar tau PET levels. Conclusions and relevance: The findings of this prognostic study suggest that tau PET is a promising tool for predicting cognitive change that is superior to amyloid PET and MRI and may support the prognostic process in preclinical and prodromal stages of AD.

59 BASIC BIOLOGICAL SCIENCES↗

Influence of intermolecular interactions on the infrared complex indices of refraction for binary liquid mixtures

This paper investigates the accuracy of deriving the composite optical constants of binary mixtures from only the complex indices of refraction of the neat materials. These optical constants enable the reflectance spectra of the binary mixtures to be modeled for multiple scenarios (e.g., different substrates, thicknesses, volume ratios), which is important for contact and standoff chemical detection. Using volume fractions, each mixture's complex index of refraction was approximated via three different mixing rules. To explore the impact of intermolecular interactions, these predictions are tested by experimental measurements for two representative sets of binary mixtures: (1) tributyl phosphate combined with n-dodecane, a non-polar medium, to represent mixtures which primarily interact via dispersion forces and (2) tributyl phosphate and 1-butanol to represent mixtures with polar functional groups that can also interact via dipole–dipole interactions, including hydrogen bonding. The residuals and the root-mean-square error between the experimental and calculated index values are computed and demonstrate that for miscible liquids in which the average geometry of the cross-interactions can be considered isotropic (e.g., dispersion), the refractive indices of the mixtures can be modeled using composite n and k values derived from volume fractions of the neat liquids. Conversely, in spectral regions where the geometry of the cross-interactions is more restricted and anisotropic (e.g., hydrogen bonding), the calculated n and k values vary from the measured values. The impact of these interactions on the reflectance spectra are then compared by modeling a thin film of the binary mixtures on an aluminum substrate using both the measured and the mathematically computed indices of refraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Co-Pyrolysis of Chicken and Cow Manure

Conventional pyrolysis is a relatively simple way for biochar production; however, a single biomass feedstock approach is not promising for the development of multiple properties of biochar used in various applications. Here, this study provides a detailed comparison in terms of pyrolysis kinetics between the cow manure and chicken manure, in addition to the co-pyrolysis by mixing the two livestock at different ratios. Eight different heating rates were tested, 5–40 °C/min with 5 °C/min step, on both livestock using the nitrogen as a gas agent with a flowrate of 50 ml/min. The initial results show that for the slow heating rates, 5 °C/min, the thermal degradation of the cow manure is different compared to that obtained from chicken manure. For the cow manure, the first peak, associated with hemicellulose decomposition, is higher than the second peak, associated with cellulose decomposition, which is the other way around for chicken manure. At 5 °C /min, the hemicellulose decomposition took place at 250 °C and 300 °C for the chicken manure and cow manure, respectively. The cellulose decomposition was started at 300 °C for chicken manure and 470 °C for cow manure. The lowest heat rate was selected for the co-pyrolysis case study to allow a quasi-equilibrium state to avoid measurement errors and heat transfer limitation in terms of thermal lag. Co-pyrolysis is studied with different blend ratios between the chicken and cow manure, where the 40% cow manure shows a positive result in terms of keeping an exothermic reaction over the co-pyrolysis process.

09 BIOMASS FUELS↗

Mitigation-Aware Bidding Strategies in Electricity Markets

Market power exercise in the electricity markets distorts market prices and diminishes social welfare. Many markets have implemented market power mitigation processes to eliminate the impact of such behavior. The design of mitigation mechanisms has a direct influence on investors' profitability and thus mid-/long-term resource adequacy. In order to evaluate the effectiveness of the existing market power mitigation mechanisms, this paper proposes a mitigation-aware strategic bidding model and studies the bidding strategies of the market participants under current practice. The proposed bidding model has a bilevel structure with strategic participant's profit maximization problem in the upper level and the dispatch problem for market operators in the lower level. In particular, the consideration of potential offer mitigation is incorporated as upper-level constraints based on the conduct and impact tests. This bilevel problem is reduced to a single-level mixed-integer linear program using the KKT optimality conditions, duality theory, and linearization. Numerical results illustrate how a strategic player can exercise market power to achieve a higher profit even under the current market power mitigation process and we analyze the social impact that the market power exercise results.

Wu, Yiqian↗

Studies on the Encapsulation of Brine Generated from a Process Using Selective Electrodialysis Reversal

This topical report summarizes the laboratory testing, geochemical modeling, and mineralogical testing conducted to examine the efficacy of wastewater encapsulation for the brine generated from the Saltworks Flex electrodialysis reversal technology. Within the laboratory testing, the short- and long-term physical properties of seven separate mix designs were examined along with the leaching of each mix design. Additionally, geochemical thermodynamic modeling was used along with mineralogical analyses to help gain a fundamental understanding of the chemistry involved in the encapsulation process. Encapsulation is a process that results in the immobilization of constituents of interest by creating an engineered material that contains the waste within its matrix, both physically and chemically, in such a manner that the receiving environment is protected from adverse effects. Within the context of this study, encapsulation mix designs involved mixing the Saltworks brine with fly ash and various additives, principally lime (calcium oxide) and cement, to form a paste that eventually sets and hardens into a monolith upon placement in a landfill. Moisture conditioning fly ash with wastewater sources for on-site landfill disposal is a process that is in use at some sites and has been presented as a viable option to dispose of liquid wastes. However, because chemical reactions that can lead to sequestration of constituents of interest are not optimized, leaching can occur. Therefore, in this study, mixes were created to mimic moisture conditioning, as well as engineered pastes of varying mix designs. The study found that engineered encapsulation mixes provide significant resistance to leaching compared to moisture conditioning alone. The best performing encapsulation mix used lime as the additive, which proved superior to the use of cement. After 90 days of curing, this encapsulated mix was 5.5 times stronger than the moisture conditioned mix. Additionally, this mix exhibited an approximate 2.5 order of magnitude drop in hydraulic conductivity compared to the moisture conditioned mix. When comparing leaching, nearly all the chloride was found to evolve from the moisture conditioned mix, whereas only 6.7% of the chlorine contained in the best performing encapsulated mix leached out. Mineralogical analysis via X-ray diffraction (XRD) showed a significant concentration of the chloride sequestering mineral, Friedel’s salt, in the best performing encapsulation mix, whereas none was observed in the moisture conditioned mix, pointing to it being the primary chemical mechanism for chloride retention, along with the physical impermeability of the material. With respect to the modeling study, the model was successful in predicting the presence of most mineral phases observed in the XRD analysis.

01 COAL, LIGNITE, AND PEAT↗

3D Printable Polymers for Radiological Applications

Additive manufacturing of polymers is a widely used and growing technology throughout the DOE complex. Composite filaments for Fused Deposition Modeling (FDM) printers are commonly used to enhance material properties such as mechanical strength, operating temperature and chemical resistance. Radio luminescent properties were added to 3D filaments by impregnating clear poly(ethylene terephthalate)-glycol (PETG) with X-ray scintillator powder. X-ray scintillators have unique, narrow emission spectra which can be imaged with low light DSLR cameras, photomultiplier tubes, or spectrometers. Filament Production: 1. Pellets are loaded into the hopper. 2. Temperature and extrusion speed are set on extruder. 3. Extruder turned on and filament is pulled from nozzle along air path to cool. 4. Spooler drive speeds set. 5. Filament is inserted through Filameasure then guided along drive wheels and into traverse. 6. Parameters adjusted to obtain 1.75 mm diameter 7. Filament is inserted into spooler wheel. Traverse speed set and slip nut adjusted to make tight and even roll. From Raw Materials to Printed Part: Clear PETG pellets were dipped in ZnS:Cu scintillator powder to coat pellets. Coated and uncoated pellets were mixed together before inserting into hopper. Filament showed trace amounts of powder and luminesced under UV light. Powder distribution is random and not reproducible thus providing a unique identification marker potentially useful for national security applications. Multiple X-ray scintillators can be arranged in a panel to discriminate incident X-ray photon energies. Variable panel arrangement: pixelated, layered, solid from homogenous filament. Ratio of emission intensities. Response varies with incident photon energy. Spectrally separate scintillators. Scintillators: Yttrium Oxide Europium Doped - Red, Gadolinium Oxysulfide Terbium Doped - Green, Barium Magnesium Aluminate Europium Doped - Blue, Zinc Sulfide Copper Doped - Green. Powder concentrations will need to be increased in the filament for use in the energy discriminating panel. Homogeneity in the filament will be a challenge that can be solved by turning the pellets into a powder and mixing it with scintillator powder prior to extrusion. The panels will be tested using x-ray booths and button sources such as Am-241, Cs-137, and Co-60.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

LDRD poster - Identifying the speciation of salt-based actinides in the presence of contaminants

Molten salt reactors (MSRs) are among the most promising Generation IV nuclear reactors. The salts used in these reactors exhibit a high affinity for moisture and oxygen, and heating does not eliminate the oxides that are formed. Additionally, due to the high operating temperatures, reactor parts experience pronounced corrosion, and the resulting corrosion products integrate into the fuel salt system. It is hypothesized that the speciation of f-elements in molten salts would change in the presence of oxides and corrosion products. These changes in local structure can alter the rheological properties, which are critical to the operational and safety parameters of the reactors. Therefore, an in-depth understanding of how corrosion products influence lanthanide/actinide speciation is crucial. To test this hypothesis, lanthanides (as surrogates for actinides) and actinide chlorides were mixed with oxides (such as nickel oxide and lithium oxide) and/or corrosion products (e.g., nickel chloride) and reacted in molten salts. The resulting phases were analyzed using techniques such as powder X-ray diffraction, Raman spectroscopy, UV-Visible spectroscopy, and nuclear magnetic resonance spectroscopy. In the presence of oxides, due to the high oxophilicity of f-elements, these elements capture oxygen from the oxides, forming lanthanide/actinide oxide or oxychloride phases. Specifically, with cerium chloride, the introduction of lithium oxide to the formation of various final products depending on the oxide concentration. At lower oxide concentrations, cerium oxychloride (CeOCl) in the +3 oxidation state was observed, while an increase in the oxide concentration led to the formation of cerium dioxide (CeO2), where cerium is in the +4 oxidation state. In contrast, with nickel oxide, CeOCl formation was consistently observed, regardless of the oxide concentration. This project successfully determined that the speciation of f-elements change in the presence of oxides and different oxides in molten salts result in different final products. When the influence of nickel chloride was examined, changes in f-element speciation were not observed. However, it reacted with lithium chloride to generate a lithium-nickel-chloride (Li6NiCl8) phase, which was also observed when nickel oxide was reacted. Computational models were developed to simulate the phases anticipated under experimental conditions.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗