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At least 361 records · Page 20

Arrays of glass wedges for multi-dimensional optical diagnostics

There is a common need in the advancement of optical diagnostic techniques to increase the dimensionality of measurements. For example, point measurements could be improved to multi-point, line, planar, volumetric, or time-resolved volumetric measurements. In this work, a unique optical element is presented to enable multi-dimensional measurements, namely, an array of glass wedges. A light source is passed through the wedges, and different portions of the illumination are refracted by different amounts depending on the glass wedge angle. Subsequent optics can be used to focus the light to multiple points, lines, or planes. Basic characterization of a glass wedge array is presented. Additional wedge-array configurations are discussed, including the use of a periodic intensity mask for multi-planar measurements via structured illumination. The utility of this optical element is briefly demonstrated in (a) multi-planar flame particulate measurements, (b) multi-point femtosecond-laser electronic excitation tagging for flow velocimetry, and (c) multi-line nitric oxide molecular tagging velocimetry in a hypersonic shock-tunnel. One significant advantage of this optical component is its compatibility with high-energy laser sources, which may be a limiting factor with other beam-splitting or beam-forming elements such as some diffractive optics. Additionally, an array of glass wedges is simple and easily customizable compared to other methods for forming multiple closely spaced illumination patterns. In conclusion, suggestions for further development and applications are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Tidal Turbine Test, Downeast Turbines, July 12, 2021

Downeast Turbines tested a tidal turbine prototype with novel rotor/channel system and lateral effluent discharge apparatus (LEDA), during five days of testing in the flume at Alden Lab. Three days of testing (July 12-14, 2021) focused on turbine power metrics of torque and rpm, which were low, and then two days of follow-up testing (July 27-28, 2021) focused on LEDA performance metrics of pressure differential and rates of volumetric flow, with encouraging results. Next step is to to characterize, and even optimize, configurations of the LEDA, using 3D-CFD as a helpful tool, to refine its shape and explore its limits of performance as a means of effluent discharge that augments performance of an instream turbine. An improved configuration of the LEDA will be re-combined with the rotor/channel system of the turbine prototype, and ultimately, the rotor will be re-sized (enlarged), to better match the LEDA's performance capabilities in drawing through a rate of volumetric flow. This submission is Downeast Turbines' Post Access Report for the test event. It includes the files described here (next below), and several reference links. "Downeast TEAMER-Post-Access-Report...docx" is a document file containing the report. "Appendices A, B, and C" are included in this file, and so are "Figures #1-7." "Appendix D - Test Data Workbooks.zip" is an archive file containing all post access data (raw data tables, calculating tables, and graphs), presented in fourteen Excel workbooks as described in the report. "Appendix E - Post Access Figures.zip" is an archive file containing "Figures #8-52," of the report.

16 TIDAL AND WAVE POWER↗

Soil bulk density and texture data collected during field survey associated with NEON AOP survey, East River, CO 2018

The purpose of soil core sampling was to determine soil bulk density, volumetric water content, and soil texture across the sites that were sampled in association with the National Ecological Observatory Network's Airborne Observation Platform (NEON AOP) in 2018. Soil cores were collected from surface (2.5-7.5 cm) and subsurface (50-55cm) depths at sampling sites across East River, Washington Gulch, Slate River, and Coal Creek watersheds in Gunnison, Colorado during the summer of 2018. Surface samples were weighed for determination of soil water content prior to dry down for bulk density calculations. For all samples, we measured dry weight and weight of < 2mm fraction and conducted soil textural analysis. We provide metadata for the samples, raw data files, python code that was used to calculate bulk density, water content, and texture fraction densities from primary datasets, and a final csv file with the calculated soil bulk density, volumetric water content, and soil texture data. Additional associated site metadata and vegetation fractional cover information can be found in the associated data release.

54 ENVIRONMENTAL SCIENCES↗

Computational Analysis of the Impact of Boundary Conditions on a Particle-Laden Flow: A Case Study in a Pressurized Oxy-Coal Combustor

Designing an effective burner is vital for the development of coal combustion technologies. Because of high pressure, the volumetric fraction of the coal particles in the injected fuel in a pressurized oxy-combustion (POC) burner approaches or even exceeds the limitations allowed by the commercial computational fluid dynamics codes (e.g., Ansys Fluent). Consequently, for such high particle volumetric fractions, the interplay between the particles, the fluid flow, and the burner wall needs to be re-evaluated. The present computational work is a first step in a systematic analysis of the roles of various characteristics involved in the POC process, such as the method of particle release, its location, and the particle size. Specifically, pulverized coal is burned under an elevated pressure of 15 bar in an O 2 /CO 2 environment. A 100 kW, a POC combustor, is modeled with Ansys Fluent using the Reynolds-averaged Navier−Stokes approach. It is revealed that for this pilot-scale, pressurized burner, the gas phase flow velocity in the near-wall region exhibits anomalies. With the major focus on POC, this work aims to eliminate/reduce the impact of high particle loading on the gas-phase flow. To scrutinize the role of particle loading in the near-wall region and eliminate the impact of this velocity on POC downstream, the particle−gas interplay in the boundary layer is investigated by means of the computational simulations incorporating the coupling between the turbulent flow and the particles. It is found that the tuning of the particle release location makes the gas-phase flow velocity in the presence of particles consistent with the pure gas flow velocity profile. The particles size is also found to have a significant impact on the particle trajectory.

CFD↗

Field Validation of Thermoelectric Generation System at Holcim Cement Plant in Alpena, Michigan

Executive Summary Project Background The Industrial Technology Validation (ITV) program aims to identify and demonstrate the performance of new, emerging, and underutilized energy-saving technologies in the industrial sector to help inform decisions to help accelerate their commercialization and deployment, as well as to help make industries more competitive. This ITV demonstration evaluated a thermoelectric generation (TEG) technology at a cement plant, aiming to reduce energy demand in the cement industry. A median cement plant consumes 5.73 million British thermal units per ton of clinker production (resulting in 0.838 metric tons of carbon dioxide [CO₂] emissions per ton of clinker) (Boyd and Zhang 2011, EPA 2021), equivalent to approximately 6.9 trillion British thermal units (TBtu) per year in energy consumption at a cement plant producing 3,300 tons of clinker per day.¹ Collaborating with Holcim, Advanced Thermovoltaic Systems (ATS) developed and deployed a pilot-scale thermoelectric power system to efficiently capture and convert waste heat to electricity. The system leverages the Seebeck effect to convert temperature differences on two sides of semiconductor cartridges into electrical power (ScienceDirect, n.d.). This generation is realized with minimal moving parts compared to existing waste-heat-to-generation solutions and allows capture from heat sources with temperatures as low as 150°C. This project aimed to validate a scalable solution applicable for capturing medium-temperature waste heat, including ambient losses from other high-temperature processes, and high-temperature sources less suitable for other waste-heat-to-power solutions. By recovering this otherwise wasted heat, this project intends to validate improvements to overall process efficiency through reduction in purchased electricity, thereby reducing operational costs while enhancing resiliency and competitiveness. Description and Scope This study evaluated the performance of a TEG system from ATS as a solution to convert waste heat into useful power at a Holcim cement plant in Alpena, Michigan. This plant is a fully integrated cement plant that has been operating since 1907. The facility operates continuously (24/7/365) with approximately 250 employees and five long dry kilns, yielding a total production capacity of 7,852 tons of cement per day (EPA 2023). Currently, the Alpena plant uses waste heat boilers to convert waste heat from the exhaust of each kiln into steam, which drives steam turbine generators. The ATS TEG is being evaluated for its potential to supplement the steam turbines by capturing the remaining lower grade heat. This technology is also being considered for other Holcim plants where steam turbines are not a viable option. ATS installed a pilot-scale TEG unit with an array of 582 individual thermoelectric semiconductor cartridges, of which 573 were operational. The cartridges are sandwiched between 48 hot plates and 49 cold plates. Each cartridge is designed to generate 20 watts (W) of gross power at a hot-side temperature of 240°C and cold-side temperature of 20°C. As such, the total gross generation capacity of the installed system is 11.5 kilowatts (kW) at design conditions. The system configuration for the evaluation was designed to prioritize convenience of installation and minimize disruption to production at the site, while ensuring that the heat required can be obtained for evaluating the TEG system at various operational conditions. To accomplish this, a portion of the steam supplied to Alpena’s steam turbine generation system was diverted to be used as the heat source for the TEG system, while water was supplied to the cold side of the system from nearby Lake Huron. This configuration was designed for the evaluation of the pilot-scale system to assess the performance at different conditions. A commercial-scale system will likely vary from the pilot system depending on typical configurations, including both scale and application. Future commercial applications of the ATS system would involve integrating the system into the exhaust from kiln preheaters, clinker coolers, or radiant heat capture from kiln shells for the heat source. For the cold source, a range of cooling solutions can be considered, including a mechanical cooling system, depending on the location and the application. To increase the generation capacity for commercial applications, the technology provider is working toward developing a commercial-scale TEG system, which would combine multiple TEG units (each similar in design to the pilot system) together. The scope of this evaluation includes the pilot-scale TEG system and all impacted equipment including pumps, controllers, and power handling equipment. Study Objectives The evaluation's goal was to assess the potential of the ATS TEG system to generate useful electrical power by capturing waste heat from cement production kilns. The objectives of this study are to evaluate and verify the following claims made by ATS regarding the pilot-scale system installed at the Holcim Alpena plant. The following design parameters and claims are also outlined in Table ES- 1 and Table ES- 2: • Gross Power: The thermoelectric system converts heat into power to create gross power, the total measured power generated by the system. The 573 active cartridge pilot-scale system is expected to generate 11.5 kW of gross power at the designed hot-side temperature of 240°C and cold-side temperature of 20°C. Power production is dependent on the temperature difference between the heat source (ultimately from the waste heat) and cold temperature supply source. • Net Power: The net power is the total usable power provided to the site by the TEG system after deducting parasitic power loads from the gross generated power. Supplementary equipment is required to operate the TEG system including pumps, controllers, and, in certain anticipated applications, mechanical cooling, which introduce parasitic loads to system operation. After deducting the parasitic loads from the gross power generation, ATS anticipates achieving a net power generation of 7.5 kW from the pilot-scale system. • Thermal Efficiency: The thermal efficiency is the percent of the total heat transferred to the TEG system that is converted to gross power. Historically, TEGs have a thermal efficiency of 2%–5% (DOE 2008). Prior industrial-scale TEG systems, such as the E1 TEG offered by Alphabet Energy, operated at an efficiency of 2.5% (Lamonica, 2014). ATS anticipates achieving an average efficiency of 4.8% or higher in converting heat energy to usable electricity. • Cartridge Performance: The TEG system comprises 573 active individual semiconductor cartridges, each of which generates a portion of the total power. Cartridge optimization and selection is an important design consideration for potential future TEG system design performance. Therefore, understanding the distribution of gross power and efficiency within the pilot system is vital to understanding what is achievable. At a design hot-side temperature of 240°C and cold-side temperature of 20°C, ATS anticipates a cartridge performance of 20 W of gross power per cartridge at an efficiency of 4.8% per cartridge. In addition to evaluating the claimed performance of the TEG pilot-scale unit, the study estimated the potential annual impacts of a scaled-up commercial system used to capture kiln waste heat over annual operations. The evaluation estimated the gross and net annual electric generation achievable by capturing heat from the two proposed tap-in points: the kiln exhaust and the clinker cooler exhaust; see Section 2.1 for details. Two use cases were examined: • Holcim Alpena: The Holcim Alpena site consists of long dry kilns with superheater boilers, which differs from the rest of Holcim’s cement plant portfolio and results in lower waste heat temperatures. The study estimates gross and net annual generation using the superheater boiler exhaust and clinker cooler exhaust, based on 2023 operational data. • Typical Installation: Common cement plants have preheater kilns with higher exhaust temperatures than Holcim Alpena across a range of production rates. The study estimates gross and net annual generation using the preheater exhaust and clinker cooler exhaust, with a sensitivity analysis to account for the typical range of preheater exhaust temperatures, clinker cooler exhaust temperatures, and clinker production rates. Methodology The evaluation methodology followed a measurement and verification (M&V) strategy based on the International Performance Measurement and Verification Protocol Option B through comprehensive measurements and analyses of the affected systems. Evaluation data was collected from March 9 to March 11, 2024, the test period of the pilot TEG system. During the test period, in coordination with the ITV team, the ATS team adjusted system operations to capture the range of variability expected for each of the variables pertinent to performance of the system. The methodology consisted of two parts: evaluating the performance of the pilot unit's TEG system and estimating the annual TEG impact in terms of gross and net power based on a given waste heat profile. First, the evaluation of the thermoelectric generation performance of the pilot unit relative to the claims was performed by analyzing the collected test data. Gross power of the pilot TEG system was directly measured. Net power was determined by deducting the measured parasitic power from the gross power. The gross power generation was compared to heat transferred to the system by the working fluid (which was heated by steam generated from the kiln waste heat) to calculate the thermal efficiency achieved by the system. Performance of individual semiconductor cartridges within the pilot array was also assessed in terms of measured gross cartridge power and calculated cartridge thermal efficiency. The second part of the evaluation estimated the annual TEG impacts in terms of gross power and net power (calculated from the difference between gross power and parasitic power). This analysis comprised development of mathematical regression models for gross power and parasitic power, with assessment of each model’s goodness-of-fit characteristics to ensure satisfaction of statistical requirements. The models predicted the gross power generation, the parasitic load based on the temperature difference between the hot working fluid and the cold-side fluid (cold water from Lake Huron) entering the system, the volumetric flow rate of the cold-side fluid at the inlet, and the volumetric flow rate of the hot working fluid at the inlet. The annual impact analysis considered a theoretical commercial-scale system sized to capture the available waste heat at a cement plant, consisting of linked pilot-scale units that receive heat from a theoretical gas-to-working-fluid heat exchanger. To estimate annual impacts at the Alpena plant, the gross power and parasitic power regression models were applied to the arrays in the theoretical commercial-scale system. The heat supplied to the unit was calculated based on the kiln run time, annual production, kiln exhaust waste heat, and clinker cooler waste heat derived from 2023 Holcim Alpena kiln operational data. Net power impacts were calculated by deducting the resulting parasitic power from the estimated gross power. Inputs for the model were generated from a combination of hourly data, assumed design considerations for TEG system scale-up from the pilot-scale unit, and assumptions regarding TEG system operations. This analysis was then used as the basis for estimating annual impacts of typical TEG installation at cement plants, by applying sensitivity analyses to key kiln operational characteristics including kiln preheater exhaust temperatures, cooler clinker exhaust temperatures, and plant daily production rates across a range of expected values. Project Results/Findings Table ES- 2 and Table ES- 2 provide a summary of the operating conditions and evaluation results compared to the stated claims from the technology provider. Key takeaways include: • Gross Power: The peak gross power achieved during the testing period was 10.0 kW, compared to the 11.5 kW expected for 573 active cartridges. The claimed gross power was associated with a target hot side of 240°C; however, the system only received a maximum hot-side mean plate temperature of 212°C during the testing period. • Net Power: The pilot-scale unit exceeded the claims for net power, achieving a peak of 7.7 kW net compared to a claim of 7.5 kW. One factor contributing to the higher achieved net power is the relatively high water pressure available through Lake Huron. The pilot TEG system did not require cold-side pumps during the test, whereas most installations would. This reduced the parasitic loads on the system, ultimately contributing to higher net power relative to the gross power. • Thermal Efficiency: The pilot-scale unit outperformed the claimed efficiency, achieving a peak system efficiency of 5.0% thermal efficiency compared to the stated 4.8%. • Cartridge Performance: To compare cartridge performance against claims, the study focused on the third day of testing, which aimed for conditions closest to the design specifications, with a hot side of 240°C and cold-side exit temperature of 6.4°–30°C. On this day, the mean gross power observed in the cartridges within the TEG array was 18.1 W/cartridge, and the peak performance was 34.7 W/cartridge. The estimated mean cartridge efficiency was 5.2%, and the estimated efficiency at peak gross cartridge power was 10%. The regression models developed for gross power generation and parasitic loads were used to estimate the generation impact for given heat input to the TEG from the working fluid (captured from the waste heat) and from the cold loop (Lake Huron) on an hourly basis for a year of operation. Based on this analysis, installation of a commercial-scale TEG system at the Holcim cement plant in Alpena, Michigan, with a waste heat exchanger of 0.85 effectiveness, would generate up to 391 kW of net power, translating to between 920,000 and 1,800,000 kilowatt-hours (kWh) in net electricity per year. Based on typical grid emissions for Alpena, this would avoid estimated net emissions by 752 metric tons of CO₂ annually.² The sensitivity analysis estimated that typical TEG system installations at cement plants could generate an average of 56–1,040 kW of net power, or between 488,000 and 9,110,000 kWh of net energy. This generation potential is most significantly affected by plant production rates and also influenced by preheater and clinker cooler exhaust temperatures. Applying the national average emission rate, typical commercial-scale installations at Holcim plants are projected to avoid between 182 and 3,401 metric tons of CO₂ annually per site. Table ES- 3 shows a summary of the estimated annual impacts.³ While parasitic loads are significant and vary by application, this analysis assumed the use of heating loop pumps and access to Lake Huron as a cold sink. This setup assumed no need for cooling loop pumps due to the available water pressure at the test site. Applications that require cooling towers or additional equipment are likely to experience higher parasitic loads. Therefore, the study’s estimates are most applicable to scenarios with similar parasitic load configurations—namely, access to a high-pressure cold sink. Applicability to other locations may be limited, as differing conditions could necessitate additional pumps and cooling systems, potentially impacting performance significantly.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Independent Review of Paducah Gaseous Diffusion Plant Freon Release Authorized Limits and Evaluation of Corresponding Radiological Doses

The Portsmouth/Paducah Project Office (PPPO) proposes to use the American National Standard Institute (ANSI)/Health Physics Society (HPS) N13.12 (ANSI 2013) volumetric screening levels as Authorized Limits (ALs) for the release of cryofluorane R-114 (Freon) at the Paducah Gaseous Diffusion Plant (PGDP) in Paducah, Kentucky. A review of the proposed ALs document indicated that potential exposure scenarios from the release of Freon are adequately discussed therein. However, questions arose regarding the assumptions made for the ANSI N13.12 clearance values, and whether or not all pathway doses were adequately considered in the Authorized Limits Request. For example, PPPO used the inverse square rule to estimate dose to the truck driver. A more appropriate evaluation would have considered the material as a cylindrical source for this pathway. In addition, the inverse square rule was inadequately applied to the inhalation and ingestion pathways. Furthermore, while the ANSI N13.12 volumetric clearance values are used in the ALs, questions arose concerning whether the values are appropriate for materials of greater than 1 metric ton, and whether or not the ANSI N13.12 standard could be used for liquids that are sent to an incinerator. For these reasons, dose modeling was conducted to demonstrate that using ANSI/HPS N13.12 screening levels as ALs for release of PGDP Freon meets the dose criteria set in U.S. Department of Energy (DOE) Order 458.1. This report provides a bounding dose analysis using scenarios described in PPPO document. Realistic parameters, such as the incinerator characteristics data, are used when available.

61 RADIATION PROTECTION AND DOSIMETRY↗

Counterflow Virtual Impactor (CVI) Inlet Aboard Aircraft (INLETCVI-AIR) Instrument Handbook

The counterflow virtual impactor (CVI) inlet separates out and samples cloud elements via inertial impaction. Warm, dry, particle-free carrier gas of known composition is pumped to the tip of the inlet in the direction opposite of the flow of air. The flow lines of the incoming free stream air are split. Larger droplets and ice crystals suspended in the sample air have enough inertia to penetrate the counterflow and enter the sample flow, while smaller, unactivated particles follow the streamlines of the air flowing around the inlet’s tip (Noone et al. 1988). The instrument is capable of sampling cloud elements as a function of cut size by changing the velocity of counterflow at the probe tip. The CVI cut size is usually defined as a diameter of a smallest particle for which penetration rate is 50%. For the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facilityGulfstream-159 aircraft’s CVI inlet, that value is usually around 13 microns. The dry heated air, normally used as the carrier gas, also serves to evaporate water from the hydrometeor, leaving the residuals to be sampled by in-cabin aerosol instrumentation. The number concentration of the droplet residue in the CVI sample line is usually increased with respect to corresponding cloud element number concentration. The CVI performance as a concentrator is usually described via CVI enhancement factor, which is a conversion factor between ambient volumetric concentration (not adjusted to standard temperature and pressure) and volumetric concentration in the CVI sample line.

54 ENVIRONMENTAL SCIENCES↗

Ultra-high energy density relativistic plasmas from nanostructures: scaling to ultra-high intensities (Final Report)

This project investigated the ultra-high energy density (UHED) regime of matter found in the center of stars, using a compact PW-class laser. These extreme conditions are typically only obtained in the laboratory in the central hot-spot of spherically imploded capsules in inertial confinement fusion experiments driven by the world’s largest lasers. We have shown that near-solid density arrays of aligned nanostructures can be volumetrically heated to multi-keV temperatures by irradiation at relativistic intensity with ultrafast laser pulses of modest energy, opening a path for the generation of UHED plasmas with compact lasers. This new UHED plasma generation approach promises to create an environment with extreme energy densities and degrees of ionization, record conversion of optical laser light into ultrafast x-ray pulses, gigantic magnetic fields and pressures, and directed beams of high energy particles . In this project we achieved record degree of ionization in volumetric heating solid density and near-solid density plasmas. Gold plasmas which spectra is characterized by L shell transition emission from ions with charge up to the Ne-like state, Au+ 72 were generated using ultrafast laser pulses of less than 10 J of energy from a compact laser focused to an intensity of ~ 3x10 21 Wcm -2 . We also conducted measurements to determine the heat penetration depth in Ni nanowire arrays as compared to Ni foil targets by monitoring the line emission of a Co buried tracer underneath a variable amount of Ni. The measurements revealed that the nanowire plasmas are roughly six times larger in depth than the solid density target plasmas. A result of this increased plasma in nanowire arrays is a greatly increased conversion of optical laser light into > 1 KeV x-rays, a record conversion efficiency of 20 %. Critical to the realization of the proposed experiments was the generation of ultrafast laser pulses with ultra-high contrast that can deposit the energy deep into the nanowire arrays before the nanowires explode to create a continuous plasma. Supporting the proposed experiments was the recent demonstration at Colorado State University of a Petawatt-class laser that emits 30 fs pulses at high repetition rates. The experiments combined this unique laser tool with a variety of tailored nanowire arrays fabricated in house and with an extensive suite of diagnostics. The experiments were accompanied by 3-dimensional particle-in-cell simulations and detailed atomic physics simulations with transient kinetics and radiation transport. The proposed research allowed us to continue training Ph.D students and post-docs with broad experience in HEDP Science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Geodyn Material Library: Pseudocap models for dry porous tocks

This report describes the second edition of the Pseudocap Strength models for porous rocks implemented in GEODYN material library. The first model was developed in 2007 and calibrated for concrete. Then, the model parameters were calibrated based on triaxial tests reported for limestones and sandstones of various porosities. In these models some key parameters were chosen as functions of the reference porosity,Φ. Since then multiple modifications were implemented in the model, therefore, it has been recalibrated for some common porous materials such as limestones, sandstones, alluvium, tuffs and granite. Two types of models are described in this repot. The first type (called Pseudocap Model or PM) is for rocks from a specific location. Parameters were calibrated for several specific geologic materials. The second type (called Generic Pseudocap Model or GPM) is useful for the sites where only basic information (rock type, porosity) is available. Generic models include built-in correlations between porosities and other mechanical properties observed for certain rock types. The models of both types were validated by comparing not only to quasi-static triaxial tests for these materials but also to shock Hugoniot data and spherical explosion data for some materials. All models were derived in the frame of isotropic plasticity. They are designed to be used in explicit finite element/difference codes. Tangent stiffness tensor is not provided but can be calculated numerically for the model to be used in implicit finite element codes. For an isotropic material the stress can be decomposed into volumetric and deviatoric parts. The volumetric part is modeled using an Equation of state (EOS) which calculates the pressure and the bulk sound speed as functions of the internal specific energy and density. Here a simple, Mie-Gruneisen EOS is presented, but tabulated EOS (LEOS) provided by the library can be used as well. The stress is limited by the yield surface which depends on three invariants of the stress tensor and specific internal energy. In addition, to capture the strain-rate dependence a simple multiplier is used for the yield surface which depends on the equivalent plastic strain rate. The failure surface (the ultimate yield, Y f , defined later) is chosen in the Hoek-Brown form, commonly used in rock mechanics. It includes measurable parameters such as Unconfined Compressive Strength (UCS) as well as scale parameters characterizing the quality of the rock such as GSI (Geologic Strength Index). Thus, even though the model is calibrated for small samples it offers a way to extrapolate the strength to the field scale using geological characterization of the rock mass. The model captures effects of brittle-ductile transition in rocks by introducing a cap multiplier to the yield function. The rate of dilatancy (bulking) is proportional to the slope of the yield surface affected by the cap. Therefore, it takes place only at low confinements when the pressure is less than the brittle-ductile transition pressure, P BD . On the contrary, the porous compaction takes place at pressures higher than P BD . The cap moves as the porosity is compacted or new porosity is generated due to dilatancy. The porous compaction is modeled using an evolution equation which includes deviatoric stress so that the onset of compaction corresponds to the cap surface. The model captures effects of shear-enhanced compaction which is an important for porous rocks. Section 2 describes the modeling framework and Section 3 presents the model calibration procedure. Section 4 compares experimental data for various rocks versus model predictions. The model parameters used for this comparison are given in Appendix. The files with material constants are available with the latest GEODYN material library distribution.

58 GEOSCIENCES↗

The Challenge Ahead: A Critical Perspective on Meeting U.S. Growth Targets for Sustainable Aviation Fuel

With demand for jet fuel expected to more than double by 2050 and triple by 2070, continued and accelerated efforts to decarbonize the global aviation sector are needed to curtail rising emissions and avert the worst outcomes of climate change. In response to this call-to-action, the United States has unveiled the Sustainable Aviation Fuel (SAF) Grand Challenge, which seeks to expedite the development of alternative fuel pathways that offer a minimum of a 50% reduction in life cycle greenhouse gas emissions compared to conventional jet fuel. However, there is growing concern on whether sufficient biomass will be readily available to satisfy the projected sharp rise in demand for SAF. Carbon dioxide point-source emissions combined with rising supply from direct air capture efforts have the potential to complement and offset any supply gaps for biomass-derived SAF and other use cases. Independent of the chosen feedstock and conversion technology, numerous challenges persist across SAF production in seeking to drive down fuel cost and carbon intensity. To hit the 2030 target of 3 billion gal/yr, this means about a 100% compound annual growth rate in volumetric SAF production (about 130 times scale-up) will need to be realized. To achieve the stretch goal of 35 billion gallons of SAF per year by 2050, volumetric production must increase by a factor of 12 from the 3-billion-gal/year 2030 target of SAF Grand Challenge. The comparatively longer runway for 2050 combined with significant production volume growth suggests a more inclusive "all-hands-on-deck"-style approach will likely play a role. A key component in success lies in the coordinated research, development, demonstration, and deployment efforts by multiple federal agencies and industry partnerships.

09 BIOMASS FUELS↗

A Spectacular Viscoelastic Model Calibration for 828/D230/Alox Generated from Legacy Sandia Data

The nonlinear viscoelastic Spectacular model is calibrated to the thermo-mechanical behavior of 828/D230/Alox with an alox volume fraction of 20 %. Legacy experimental data from Sandia’s polymer properties database (PPD) is used to calibrate the model. Based on known densities of the epoxy 828/D230 and the alox filler, the alox volume fractions listed on the PPD were likely reported incorrectly. The alox volume fractions are recalculated here. Using the recalculated alox volume fractions, the PPD contains experimental data for 828/D230/Alox with alox volume fractions of 16 %, 24 %, and 33 %, so the thermo-mechanical behavior at 20 % alox volume fraction is estimated by interpolating between the bounding cases of of 16 % and 24 %. Because the Spectacularmodel can be fairly challenging to calibrate, the calibration procedure is described in detail. Several of the calibration steps involve inverse parameter identification, where an experiment is simulated and parameters are iteratively updated until the model response matches the experimental data. As the PPD does not fully describe all experimental procedures, the experimental simulations use assumed thermal and mechanical loading rates that are typical for the viscoelastic characterization of epoxies. Spectacular uses four independent relaxation functions related to volumetric (ƒ 1 ), shear (ƒ 2 ), thermal strain (ƒ 3 ), and thermal relaxations (ƒ 4 ). The previous SPEC model form, also known as the universal_polymer model, uses two independent relaxation functions related to volumetric and thermal relaxation (ƒ ν = ƒ 1 = ƒ 3 = ƒ 4 ) and shear relaxation (ƒ s = ƒ 2 ). The two constitutive choices are briefly evaluated here, where it is found that the four relaxation function approach of Spectacular was better suited for fitting the coefficient of thermal expansion during both heating and cooling.

36 MATERIALS SCIENCE↗

Fostering a Guiding Multiscale Model for the Development of Advanced MgB 2 Hydrogen Storage Materials (Final Technical Report)

Project Goal and Objective. The demand for energy and for an upgraded energy infrastructure has steadily grown, as have the needs for energy independence and alternatives to our reliance on petroleum. Hydrogen is considered the most viable fuels for wide-scale implementation in the near future as it is less-polluting, non-toxic, and has more stored energy than petroleum. It is envisioned that hydrogen can eventually become the prime energy carrier, integrating the transportation, grid, and chemical sectors in a way that improves resiliency, diversifies feedstocks, and affords new economic opportunities. A key remaining challenge is the development materials with enhanced gravimetric and volumetric hydrogen storage capacities that offer a higher performance than compressed gas. These materials would eliminate the need for large-scale compression, thereby dramatically reducing the footprint and cost of gas storage. The high gravimetric and volumetric hydrogen capacities of complex hydrides has prompted an intensive investigation of the potential of this class of materials as hydrogen storage media over the past 25 years. Among the many complex hydrides that have been explored, magnesium borohydride, Mg(BH 4 ) 2 , has been found to possess the best combination of practical thermodynamic properties. These include a gravimetric H 2 density of 14.9 wt% H 2 and thermodynamics for the dehydrogenation of Mg(BH 4 ) 2 to MgB 2 (equation 1) (ΔH° = 39 kJ/mol H 2 , ΔS = 112 J/K mol H 2 ) which lie in the narrow window required Mg(BH 4 ) 2 $\Leftrightarrow$ MgB 2 + 4 H 2 (1) for reversibility under moderate pressure and temperature. However, overcoming the extremely slow kinetics of the reversible release of hydrogen by this material in the solid state is a daunting challenge. At temperatures greater than 400 °C, the borohydride releases up to 14 wt% hydrogen giving MgB 2 . We discovered that the direct re-hydrogenation of MgB 2 to Mg(BH 4 ) 2 can be accomplished under 950 bar H 2 at 400 °C. While this demonstrated that complete reversibility can be achieved, the conditions employed are far too extreme for commercial hydrogen storage applications. More recently, we found through US DOE funded research projects (EERE HyMARC and HySCOR), that hydrogen cycling, can be accomplish at much milder conditions upon modification of the borohydride or boride. Guided by these discoveries these discoveries, the objective of this research project was to obtain key information that will enable the development of a model of reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 . The ultimate goal of our efforts is to attain a model of this transformation that can be utilized to accelerate development further advanced materials. This project directly follows on discoveries that were made over the course of a US DOE, EERE HyMARC project that was focused on improvement of the hydrogen cycling kinetics of modified MgB 2 . We found that that mechanical milling with graphene results the desired, pronounced kinetic enhancement. The dramatic lowering of the conditions required for the hydrogenation of MgB 2 is a significant step towards overcoming its chemical inertness allowing its development as a practical onboard hydrogen storage material. However, the exact nature of the modification(s) of MgB 2 that is responsible for its activation towards hydrogenation is completely unknown. This situation is not unique, as efforts to develop hydrogen storage materials typically have a narrow focus rather than a comprehensive approach that takes atomic level bonding and structure; molecular dynamics; long range, nano- and mesoscale-structure and their interconnection all into account. The goal of this project was the development of a comprehensive, multi-scale computational model of reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 that can be utilized for development of higher performance versions of the modified material. Development of the model requires determination of: 1) the bulk, nano-scale, and meso-scale structural changes occurring at elevated pressure following mechano-chemical modification of MgB 2 ; 2) the reaction pathway of the reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 ; 3) the effect of elevated pressure and mechano-chemical modification on the chemical reaction pathways; 4) the interactions at solid-gas interfaces; and particle surfaces; and 5) the kinetics and thermodynamic parameters associated with each step of the hydrogenation reaction pathway. This investigation required advanced techniques as preliminary, standard XRD, 11 B NMR, and FTIR analysis showed no signs of material modification. In order to gain this level of understanding of modified MgB 2 , required the teaming of a diverse group of experts and state-of-the art experimental capabilities at the University of Hawaii at Manoa (UHM) and collaborating National Laboratories: Craig Jensen , Department of Chemistry (PI and Project Director), solid state, solution, and high pressure NMR spectroscopy; solid-state synthesis; and high pressure hydrogenation (collaboration with SNL); Godwin Severa , Hawaii Natural Energy Institute (co-PI) calorimetry; infrared and Raman spectroscopy (collaboration with NREL); Dera , high pressure X-ray diffraction including in situ experiments (collaboration with ANL); Hope Ishii , Hawaii Institute of Geophysics electron microscopy investigations (collaboration with LBNL); and Joe Brown , Mechanical Engineering , material electronic structure and electric field effects.

08 HYDROGEN↗

Investigation of Best-Practices and Computationally Inexpensive Radiative Exchange Models for Discrete Element Method Modeling of Aluminosilicate Particles in Concentrating Solar Power Environments

Chemically inert, aluminosilicate based particles have been investigated as both a thermal transport and sensible energy storage medium for concentrating solar power facilities. These particles will experience a wide range of operating temperatures (300-1000 K) and handling conditions (dense to dilute falling particle curtains, dense granular flows, or dense structures), requiring specially-designed and optimized infrastructures. The relative influence of collisional and frictional interactions between particles varies based on temperature-dependent particulate properties and greatly impacts the bulk, granular flow behavior. These underlying physics are captured using discrete element method modeling tools. However, this modeling method is computationally expensive as each particle position and interaction is tracked during the simulation. These modeling methods are further complicated by introducing temperature-dependent particle properties, high-temperature radiative exchange, and directional irradiation sources experienced by granular flows in concentrating solar power environments. In this study, coupled experimental and numerical slump testing of aluminosilicate particles was performed and computationally efficient radiative exchange models were evaluated to establish best-practices for discrete element method models for concentrating solar power environments. The three particle types investigated included Carbobead HSP 30 /60, Carbobead CP 30/60, and Granusil 4030. Existing modeling limitations and computationally-efficient multi-modal heat transfer models were evaluated using Aspherix®, a commercial discrete element method software. High-temperature (< 1073 K) slump testing of aluminosilicate particles was performed to investigate the deviation between experimentally-observed and numerically-predicted angles of repose introduced by computation-time reduction practices including the relaxation of the particle elastic modulus and coarse-graining. Coarse-graining is used to use a single modeled particle that is representative of a collection of smaller particles, decreasing the computational cost at the expense of geometric accuracy. Additionally, relaxation of the elastic modulus is used to reduce computational time at the expense of an increased, modeled particle overlap. Prior studies have determined that aluminosilicate particles retain a high elastic modulus at high temperatures (< 1073 K), requiring small simulation timesteps to ensure resolved contact forces resemble appropriate solid mechanics. A parametric study was performed to evaluate the influence of computation time improvements on the deviation between experimental and modeled angle of repose across high temperatures < 1073 K. Additionally, numerical case studies were performed on candidate particle systems at varying porosities and temperatures. These studies were performed to investigate the influence of computationally-efficient radiative-exchange modeling methods coupled to Aspherix® on modeled accuracy and computation time. The recently-developed distance-based approximation was evaluated in estimating radiative exchange between particles and participating surfaces located in close proximity. The distance based approximation was developed to use tabulated estimates of the radiative distribution factor between individual particles and surfaces in close proximity (< 40 particle radii). These methods were expanded to the aluminosilicate particles of interest, including the influence of particle size distributions. To capture radiative exchange between particles and surfaces not in close proximity (> 40 particle radii) and to capture the absorption of directional irradiation from concentrating solar resources, a volumetrically-averaged radiative distribution factor was calculated between the modeled granular flow and surfaces using Monte Carlo ray-tracing for participating media. Volume-averaged absorption and scattering coefficients were predicted using a volumetric discretization of the modeled domain with monodisperse approximations based on geometric optics and experimentally-determined scattering phase functions for aluminosilicate particles.

14 SOLAR ENERGY↗

Next-Generation, High-temperature, High-frequency, High-efficiency, High-power-density Traction System

To meet performance and reliability requirements necessary for broader adoption of electric drive vehicles, the Electrical and Electronics Technical Team of the U.S. Drive partnership has established aggressive design goals for next-generation electric vehicle drivetrains. Specifically, the 2025 roadmap stipulates a 100 kW/L power density target and a $\$$2.7/kW cost target for power electronics, in addition to high-voltage operation (i.e., greater than 800 VDC). The additional targets for traction motor and the overall system performance impose further challenges on the power electronics design. For example, many high specific power machines have reduced iron content, and therefore reduced intrinsic filtering, thus requiring the inverter to supply a low-distortion drive current. These machines also typically have a high pole count, thus requiring drive current at a higher electrical frequency. Other motors, such as brush-less dc and switch reluctance machines, require a carefully-shaped, non-sinusoidal drive current (Yang, Shang, Brown, & Krishnamurthy, 2015), (Zhang, Bowman, O'Connel, & Haran, 2018), (Anderson, et al., 2018). Two- and three-level inverter topologies are the conventional framework for the power electronics design of the drivetrain, and some demonstrations have shown recent progress towards addressing cost, power density and efficiency goals (Gurpinar & Ozpineci, 2018), (Zhu, Kim, Chen, Erickson, & Maksimović, 2018), (Deshpande, Chen, Narayanasamy, Sathyanarayanan, & Luo, 2018), (Alizadeh, et al., 2019). However, an unconventional approach may be necessary to take the dramatic leap in power density necessitated by the roadmap—while simultaneously addressing the other system needs. Therefore, this project leverages the flying capacitor multilevel (FCML) topology, together with a scalable, modular approach, to address these needs. This type of hybrid converter has several advantages: lower voltage (i.e., less than 300 V) transistors can be used, energy-dense capacitors process most of the power, and the output current waveform is multilevel and exhibits a frequency multiplying effect—in other words, the output has reduced dv/dt and filtering requirements for the same high voltage dc bus. For example, in an electric vehicle with an 800 V bus, a 10-level FCML could leverage 100 V, commercially available GaN devices switching at 115 kHz to produce a ~1 MHz switching waveform (modulated according to the motor drive requirements) with one ninth of the dv/dt of a two-level converter. Prior work has already demonstrated promising performance and gravimetric power density figures for more electric aircraft applications (Pallo, Foulkes, Modeer, Coday, & Pilawa-Podgurski, 2018). This project leverages lessons learned to achieve the volumetric power density of 100 kW/L by employing advanced liquid cooling, address the 300,000 mile reliability challenge with redundant design, topology failure studies and online health monitoring, and reduce costs to $\$$2.7/kW through the use of low-cost GaN devices, modular converter assemblies, and modest modifications to traditional manufacturing methods. The project involved several hardware designs, each achieving increasing performance. At the conclusion of the project, a volumetric power density of 380 kW/L was achieved, in a 800V dc-ac converter, greatly surpassing even the aggressive target goal.

33 ADVANCED PROPULSION SYSTEMS↗

Electrolyte Assisted Hydrogen Storage Reactions (Final Technical Report)

The goal of this project is to address critical deficiencies of hydrogen storage systems design based on hydride materials, as originally identified by the DOE Hydrogen Storage Engineering Center of Excellence (HSECoE). Baseline hydrogen storage technology presently relies on compressed gas operating at ~700 bar pressure, which imposes huge demands on fuel delivery, fuel storage and system cost. For onboard storage applications, Type IV composite overwrapped pressure vessels and associated balance-of-plant components are necessary to ensure safe and effective fuel delivery. However, such compressed gas technology falls well-short of volumetric targets even at 700 bar, given the density of gaseous molecular hydrogen is only 40 g·H2/l at ambient temperatures. One alternative is to utilize hydride materials which accommodate hydrogen in atomic form. Certain hydrides can attain volumetric densities that exceed the density of liquid H2 (71 g·H2/l) while also offering advantageous thermodynamic properties. However, such material systems presently rely on solid-state diffusion for hydrogen release, which has a very high activation barrier for atom mobility and, thus, requires impractically-high temperatures for operation. The initial focus of our research effort is to employ and demonstrate an electrolyte system to mediate the diffusion of species at lower temperatures relevant to transportation applications, with the goal of establishing the critical factors necessary to obviate the need for high-temperature release of hydrogen. A parallel goal of this exploratory effort is to determine the effectiveness of modest electrochemical potentials in overcoming any endothermic requirements for hydrogen release in a similar electrolyte-promoted scenario.

08 HYDROGEN↗

SPRUCE: Carbon Dioxide and Methane Soil Flux Measurements at High Temporal Resolution, Beginning in 2022

This data set contains high temporal resolution measurements of greenhouse gas flux (CO2 and CH4) from the SPRUCE (Spruce and Peatland Responses Under Changing Environments) experiment (Hanson et al. 2017) over the growing seasons in 2022 (30-minute resolution) and 2023 (15-minute resolution). Additional data will be appended to this dataset periodically until the close out of the SPRUCE experiment in 2025. This dataset contains two data files in comma-separate (*.csv) format. ABB GLA131-GGA CO2/CH4 gas analyzers, each paired with an Eosense eosMX multiplexer and 2 eosAC-LT automated flux chambers, were deployed from during the 2022 and 2023 growing seasons (2022-06-06 – 2023-10-26). Each SPRUCE experimental enclosure included two Eosense 50 cm diameter flux chambers with 40 cm tall stainless steel collars embedded approximately 15 cm into the peat soil, to measure soil gas flux of peatland ecosystem moss-shrub communities. . Measurements were taken for three minutes, alternating between the flux chambers, with each Eosense flux chamber sampling gas fluxes four times per hour in 2023 and twice per hour for 2022. In addition, time-series environmental data measured at the flux chamber are included: Photosynthetically active radiation (PAR), soil temperature, soil volumetric water content (at 10 cm depth), air temperature, soil temperature (0-200 cm depth), and volumetric water at 20 cm depth.

Spruce and Peatland Responses Under Changing Envir↗

Experimental Characterization of an Additively Manufactured Inconel 718 Heat Exchanger for High-Temperature Applications

This work presents the experimental results of a novel, air-to-air, additively manufactured manifold-microchannel heat exchanger with straight fins on both sides. The heat exchanger was made of Inconel 718 using a direct metal laser sintering technique. The overall core size of the heat exchanger was 94 mm × 87.6 mm × 94.4 mm, with a fin thickness of 0.220 mm on both the hot and cold sides. The heat exchanger was tested with pressurized nitrogen gas at 300 °C and 340 kPa for the hot side, while air at an ambient condition was used for the cold side. An overall heat transfer of 276 W/m2K was obtained for Reynolds number values of 132 and 79 for the cold and hot sides, respectively. A gravimetric heat transfer density (Q/m∆T) of 4.7–6.7 W/kgK and a volumetric heat transfer density (Q/V∆T) of 6.9–9.8 kW/m3K were recorded for this heat exchanger with a coefficient of performance value that varied from 42 to 52 over the operating conditions studied here. The experimental pressure drop results were within 10% of the numerical values, while the corresponding heat transfer results were within 17% of the numerical results, mainly due to imperfections in the fabrication process. Despite this penalty, the performance of the tested heat exchanger was superior to the conventional plate-fin heat exchangers: more than 60% of improvements in both gravimetric and volumetric heat transfer densities were recorded for the entire range of experimental data.

42 ENGINEERING↗

Genome Sequence and Analysis of the Flavinogenic Yeast Candida membranifaciens IST 626

The ascomycetous yeast Candida membranifaciens has been isolated from diverse habitats, including humans, insects, and environmental sources, exhibiting a remarkable ability to use different carbon sources that include pentoses, melibiose, and inulin. In this study, we isolated four C. membranifaciens strains from soil and investigated their potential to overproduce riboflavin. C. membranifaciens IST 626 was found to produce the highest concentrations of riboflavin. The volumetric production of this vitamin was higher when C. membranifaciens IST 626 cells were cultured in a commercial medium without iron and when xylose was the available carbon source compared to the same basal medium with glucose. Supplementation of the growth medium with 2 g/L glycine favored the metabolization of xylose, leading to biomass increase and consequent enhancement of riboflavin volumetric production that reached 120 mg/L after 216 h of cultivation. To gain new insights into the molecular basis of riboflavin production and carbon source utilization in this species, the first annotated genome sequence of C. membranifaciens is reported in this article, as well as the result of a comparative genomic analysis with other relevant yeast species. A total of 5619 genes were predicted to be present in C. membranifaciens IST 626 genome sequence (11.5 Mbp). Among them are genes involved in riboflavin biosynthesis, iron homeostasis, and sugar uptake and metabolism. This work put forward C. membranifaciens IST 626 as a riboflavin overproducer and provides valuable molecular data for future development of superior producing strains capable of using the wide range of carbon sources, which is a characteristic trait of the species.

59 BASIC BIOLOGICAL SCIENCES↗