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FAST-1.0 Software Release Document

The purpose of this document is to detail the release of FAST-1.0 and the documents that accompany the development and testing of FAST-1.0. Design requirements were for FAST-1.0 developed in the NRC Statement of Work (SOW) for NRC Agreement Number NRC-HQ-25-14-D-001 and are transcribed to this document as part of the Software Quality Assurance Plan for the FAST Code System, PNNL-28767. FAST 1.0 represents the merger of the FRAPCON and FRAPTRAN codes and as such FAST-1.0 performs steady state and transient fuel performance calculations described below. FAST-1.0 calculates the steady state response of light-water reactor fuel rods during long-term burnup. The code calculates temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: 1) heat conduction through fuel and cladding to the coolant; 2) cladding elastic and plastic deformation; 3) fuel-cladding mechanical interaction; 4) fission gas release from the fuel and rod internal pressure; and 5) cladding oxidation. FAST is used to perform independent calculations for regulatory evaluations of fuel performance under normal operation and anticipated operational occurrences (AOOs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Performance Assessment of a Generic Nuclear Waste Repository in Shale - 18392

A performance assessment (PA) is an important component of a comprehensive safety analysis for a nuclear waste repository. In a PA, probabilistic simulations of the total repository system are performed, and results are evaluated against performance metrics. Uncertainty and sensitivity analyses help prioritize additional research and model development. The United States Department of Energy (DOE) has been developing a state of the art PA simulation software tool-kit, Geologic Disposal Safety Assessment (GDSA) Framework, that couples increasingly higher fidelity models of subsystem processes into total system PA simulations. Over the past several years, PAs of generic repositories in three geologic media (salt, shale, and crystalline rock) have demonstrated ongoing developments in capability. The current PA of a nuclear waste repository in a generic shale formation showcases GDSA Framework, including capabilities in domain discretization (Cubit), multi-physics simulations (PFLOTRAN), uncertainty and sensitivity analysis (Dakota), and visualization (Paraview). The generic shale reference case considers the disposal of 22,000 metric tons heavy metal of commercial spent nuclear fuel (SNF) in a generic shale formation. PA simulations account for the thermal load and radionuclide inventory of the waste form, components of the engineered barrier system including waste package and buffer, and components of the natural barrier system including the host rock shale and underlying and overlying stratigraphic units. Two repository layouts are considered, one for emplacement of waste packages containing 12 pressurized water reactor (PWR) assemblies, and one for 4-PWR waste package emplacement. Model domains are half-symmetry and contain between 7 and 22 million grid cells. Grid refinement captures the detail of individual waste packages, emplacement drifts, access drifts, and shafts. Simulations are run in a high-performance computing (HPC) environment on 512 or 2048 processes. The governing equations describing coupled heat and fluid flow and reactive transport are solved with PFLOTRAN, an open-source, massively parallel multiphase flow and reactive transport code. Additional simulated processes include waste package degradation; waste form dissolution; radioactive decay and ingrowth in aqueous, solid, and adsorbed phases; and a simple biosphere based on a pumping well. Simulations are run to 106 y; dose and radionuclide concentrations are observed within aquifers at a point approximately 5 km downgradient of the repository. Dakota is used to sample likely ranges of input parameters including waste form and waste package degradation rates and properties of engineered and natural materials to quantify uncertainty in predicted concentrations and sensitivity to input parameters. Given the assumptions of the reference case, results of 12-PWR and 4-PWR simulations are very similar. Dose at the pumping well 5-km downgradient of the repository does not exceed 10-9 Sv/y. I-129 is the largest contributor to dose. The dose due to Cl-36, the next largest contributor, is orders of magnitude smaller. At the pumping well, the concentration of I-129 5-km downgradient does not exceed 10-14 mol/L. Rank correlation coefficients indicate that the maximum concentration of I-129 within the aquifer is sensitive to shale (repository host rock) porosity and aquifer permeability. These results affirm that HPC-capable codes can be used to simulate important multi-physics couplings directly in a total system performance assessment of a geologic repository, and can be used in prioritization of future research and model development. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Using Wind Observations from Nearby Aircraft to Update the Optimal Descent Trajectory in Real-Time

The ability to meet a controlled time of arrival during a continuous descent operation will enable environmentally friendly and fuel efficient descent operations while simultaneously maintaining airport throughput. However, if the wind forecast used to compute the initial trajectory plan is not accurate enough, the guidance system will need to correct time deviations from the plan during the execution of the descent. Previous work proposed an on-board guidance strategy based on model predictive control, which repeatedly updates the trajectory plan in real-time from the current aircraft state and for the remainder of the descent. However, the wind conditions downstream, at altitudes not explored yet, were difficult to predict due to the lack of data. This paper shows the potential benefits of using wind observations, broadcast by nearby aircraft, to reconstruct the wind profile downstream. The wind profile in the trajectory optimization problem is modeled as a spline, which control points are updated to fit the observations before re-planning the trajectory. Results from simulations using realistic wind data show that the performance of model predictive control significantly improves when including up-to-date wind observations, in terms of time and energy errors at the metering fix and fuel consumption.

Dalmau, Ramon↗

On the effect of grain burnback on STS-SRM fragment velocity

Concerns raised during the Ulysses Final Safety Analysis Review (FSAR) process called the solid rocket motor (SRM) fragment velocity prediction model into question. The specific area of concern was that there was a section of the SRM casing which was exposed to SRM chamber pressure as the grain (fuel) was consumed. These questions centered on the velocity of fragments which originated from the field joint region given that failure occurred between 37 and 72 seconds mission elapsed time (MET). Two dimensional coupled Eulerian-Lagrangian calculations were performed to assess the hot gas flow field which resulted from SRM casing fragmentation. The fragment to gas interface-pressure time-history obtained from these analyses was reduced to a boundary condition algorithm which was applied to an explicit-time-integration, finite element, three dimensional shell model of the SRM casing and unburned fuel. The results of these calculations showed that the velocity of fragments originating in the field joint was adequately described by the range of velocities given in the Shuttle Data Book (1988). Based on these results, no further analyses were required, and approval was obtained from the Launch Abort Subpanel of the Interagency Nuclear Safety Review Panel to use the SRM fragment velocity environments presented in the Ulysses FSAR (1990).

Eck, Marshall B.↗

Algal Biomass Production via Open Pond Algae Farm Cultivation: 2022 State of Technology and Future Research

The annual State of Technology (SOT) assessment is an essential activity for platform research conducted under the Bioenergy Technologies Office (BETO). It allows for the impact of research progress (both directly achieved in-house at the National Renewable Energy Laboratory [NREL] and furnished by partner organizations) to be quantified in terms of economic improvements in the overall biofuel production process for a particular biomass processing pathway, whether based on terrestrial or algal biomass feedstocks. As such, initial benchmarks can be established for currently demonstrated performance, and progress can be tracked toward out-year goals to ultimately demonstrate economically viable biofuel technologies. NREL's algae SOT benchmarking efforts focus both on front-end algal biomass production and separately on back-end conversion to fuels through NREL's "combined algae processing" (CAP) pathway. The production model is based on outdoor long-term cultivation data, enabled by comprehensive algal biomass production trials conducted under the Development of Integrated Screening, Cultivar Optimization, and Verification Research (DISCOVR) consortium efforts, driven by data furnished by Arizona State University (ASU) at the Arizona Center for Algae Technology and Innovation (AzCATI) testbed site. The CAP model is based on experimental efforts conducted primarily under NREL research and development projects. This report focuses on front-end algal biomass production, documenting the pertinent algal biomass cultivation parameters that were input to the NREL open pond algae farm model. Through partnerships under DISCOVR, collaborators at ASU furnished details on cultivation performance metrics including biomass productivity and harvest densities for recent growth trials done at the AzCATI site. The resulting biomass productivity was calculated at 18.5 g/m2/day (ash-free dry weight [AFDW], annual average) for seasonal cultivation of Picochlorum celeri, Tetraselmis striata LANL1001, and Monoraphidium minutum 26B-AM biomass strains at the ASU site. Picochlorum celeri achieved the best productivity from May to September, with Monoraphidium minutum 26B-AM being used in October, November, March, and April, and Tetraselmis striata employed during winter months (December through February). Beyond the standard SOT models, in Appendix C of this report we also present an industry case study evaluating several scenarios reflective of outdoor cultivation data furnished by an industry collaborator. This case study provides a supplementary datapoint on work being performed elsewhere achieving comparable cultivation productivity with more favorable compositional quality, producing biomass enriched in lipids as may be more optimal for conversion upgrading to fuels and products.

09 BIOMASS FUELS↗

MODELING AND PARAMETRIC STUDY OF END-GAS AUTOIGNITION TO ALLOW THE REALIZATION OF ULTRA-LOW EMISSIONS, HIGH-EFFICIENCY HEAVY-DUTY SPARK-IGNITED NATURAL GAS ENGINES

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas (NG) engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by the low emission limits and the wide range of chemical reactivity in pipeline-quality natural gas. Depending on the region and the source of the natural gas, its reactivity, described by its Methane Number (MN), which is analogous to the Octane Number for liquid SI fuels, can span from 65 to 95. In order to realize diesel-like efficiencies, SI NG engines must be designed to operate at high Brake Mean Effective Pressures (BMEP), near or beyond knock limits, over a wide range of fuel reactivity. This requires a deep understanding of the combustion-engine interactions pertaining to flame propagation and End-Gas Autoignition (EGAI), i.e., the autoignition of the unburned gas (end gas) ahead of the flame front. However, EGAI, if controlled, provides an opportunity to increase SI NG engine efficiency by increasing the combustion rate and the total fraction of burned fuel, mitigating the effects of the slow flame speeds characteristic of natural gas fuels, which generally reduce BMEP and increase unburned hydrocarbon emissions. For this reason, to realize diesel-like efficiencies and ultra-low emissions on SI NG engines, this work proposes the study of the main parameters influencing the modeling and prediction of NG EGAI to allow for its control. In this work, a novel EGAI detection and onset determination method was developed to reliably quantify EGAI for data analysis and engine control. The new method allowed the prediction of EGAI on SI NG engines without the need to use engine- and operating-condition-dependent thresholds and reduced the error in quantifying the fraction of the total energy released by the EGAI event by up to 40%pts. One- and three-dimensional engine models were then developed to study the engine/fuel interactions that lead to NG EGAI and its performance benefits. These models, although having decent agreement with experimental data, showed the need to account for NOx chemistry when predicting NG EGAI due to a consistently later prediction of the EGAI onset (~1.65 crank-angle degrees) and thus, a new reduced chemical mechanism for real NG fuels was developed containing NOx chemistry. The new reduced mechanism improved the EGAI onset prediction agreement to within ±0.5 crank-angle degrees and decreased simulation time during combustion by nearly 50% when using the further reduced AREIS50NOx chemical mechanism. These models were then used to study the role of NG composition on EGAI, evaluate the engine/fuel interactions leading to NG EGAI, and perform engine optimization while leveraging EGAI to increase thermal efficiency. Piston design optimization combined with a Controlled EGAI (C-EGAI) combustion mode allowed a Heavy-Duty (HD) SI NG engine to operate at diesel-like efficiencies, i.e., Brake Thermal Efficiency (BTE) ≥44%. Experimental and modeling data analysis revealed that earlier and faster heat release increases combustion efficiency by an average of 1%pts, increases work transferred to the piston resulting in a decrease in exhaust losses by 50% depending on the engine operating condition while slightly increasing heat losses. Finally, the simulation results revealed an opportunity to further enhance the BTE (up to 50%) by enabling C-EGAI combustion at leaner conditions, λ=1.4-1.6.

Bestel, Diego Bernardi↗

Peak-Seeking Optimization of Trim for Reduced Fuel Consumption: Architecture and Performance Predictions

A peak-seeking control approach for real-time trim configuration optimization for reduced fuel consumption has been developed by researchers at the National Aeronautics and Space Administration (NASA) Dryden Flight Research Center to address the goals of the NASA Environmentally Responsible Aviation project to reduce fuel burn and emissions. The peak-seeking control approach is based on a steepest-descent algorithm using a time-varying Kalman filter to estimate the gradient of a performance function of fuel flow versus control surface positions. In real-time operation, deflections of symmetric ailerons, trailing-edge flaps, and leading-edge flaps of an FA-18 airplane (McDonnell Douglas, now The Boeing Company, Chicago, Illinois) are controlled for optimization of fuel flow. This presentation presents the design and integration of this peak-seeking controller on a modified NASA FA-18 airplane with research flight control computers. A research flight was performed to collect data to build a realistic model of the performance function and characterize measurement noise. This model was then implemented into a nonlinear six-degree-of-freedom FA-18 simulation along with the peak-seeking control algorithm. With the goal of eventual flight tests, the algorithm was first evaluated in the improved simulation environment. Results from the simulation predict good convergence on minimum fuel flow with a 2.5-percent reduction in fuel flow relative to the baseline trim of the aircraft.

peak-seeking↗

Enabling Staged Pressurized Oxy-Combustion: Improving Flexibility and Performance at Reduced Cost

Introduction: The staged pressurized oxy-combustion (SPOC) process, developed by Washington University in St. Louis (WUSTL), is an oxy-combustion carbon capture technology that employs a steam power cycle to generate electricity. As with atmospheric-pressure oxy-combustion processes, carbon dioxide (CO 2 ) capture rates of 90% or higher can be achieved. The staged-combustion approach of the SPOC process, when operated at elevated gas pressure, allows for near elimination of flue gas recycle (FGR) and leads to significant improvements in efficiency and reduced costs. The primary goal of this project was to investigate the potential for SPOC for flexible operation beyond the capabilities of conventional coal-fired power plants, particularly those employing carbon capture and storage (CCS). Oxy-combustion differs from conventional coal combustion in that the combustion of coal is carried out using oxygen as opposed to air. The resultant flue gas is a mixture of primarily CO 2 and water, greatly simplifying CO 2 capture. As SPOC does the oxy-combustion process under pressure, it is higher efficiency and lower cost than atmospheric oxy-combustion. The project was led by the Electric Power Research Institute, Inc., with the assistance of WUSTL, Doosan Babcock (DBL – boiler plant original equipment manufacturer), and Air Liquide (AL – air separation experts). The specific objectives of the project were to: (1) Evaluate the SPOC concept and develop a risk-based approach to the heating surface layout ensuring that performance (gas and steam side), manufacturing, transportation, and plant erection considerations were fully accounted for in the system design. (2) Improve the technology to ensure its performance and cost potential are substantially better than today’s baseline pulverized coal power plant with post-combustion capture (PCC) or atmospheric oxy-combustion, and show progress toward performance commensurate with projected commercial operation, including 90% or more CO 2 capture. (3) Address critical technology gaps and improving overall system performance for the technology. (4) Perform combustion tests at scale under commensurate pressure to the commercial operating system validate combustor and advance the SPOC combustion modeling tools that will facilitate full-scale design. Combustion Testing: Testing was initially carried out at atmospheric pressure with methane to ensure that all systems were correctly operating. Following this, the testing then proceeded to moderate pressure operation at 4 bara, where different stoichiometric conditions were used across an extended heat input range, showing that a stable flame could be maintained. Testing then proceeded at 10 and 15 bara where it was shown that the ignition system needed to be replaced at these operating conditions. When testing recommenced, a similar stable flame shape was achieved, without any methane support, and the full 100 kWth coal oxy-combustion was demonstrated. Heat flux measurements showed 400 kW/m 2 (0.126 MMBtu/hr-ft 2 ) from the flame, within the 450 kW/m 2 (0.142 MMBtu/hr-ft 2 ) preferred limit defined by DBL for the full-scale design case. Carbon monoxide and carbon-in-ash measurements showed that complete combustion was possible with ultra-low excess oxygen at 1 vol % in the product flue gas. This allowed the full-scale models to be calculated based on this level of excess oxygen, improving the performance of the system as lower feed oxygen is produced in the air separation unit (ASU), saving auxiliary power. Full-Scale Design: The full-scale design is sized to deliver 550 MWe net electrical power output to allow direct comparison with the National Energy Technology Laboratory (NETL) baseline cases using the same Montana Powder River Basin (PRB) fuel. The cases used for direct comparison are: Case S12A (supercritical [SC] coal without CO 2 capture), Case S12B (SC coal with PCC at 90% CO 2 capture, and Case S12F (atmospheric oxy-combustion SC coal with 90% CO 2 capture). The SPOC stages were configured to be identical arrangements, allowing for a more straightforward design, construction, and control strategy. Each stage consists of two PVs, the first being the combustor PV module and the second being the convective PV module. The combustor module is the tallest vessel, with local coal feeding equipment and the burner FGR and oxygen plenums at the top and ash management at the bottom. The combustor module is effectively an open cross section with membrane tubes around the circumference – this unobstructed slender profile ensures that the relatively slower burnout mechanism needed for the low-speed turbulent mixing burner can proceed unimpeded and that molten ash will not attach to any surfaces at an angle to the predominant flue gas flow. The steam turbine used in the SPOC design is essentially the same unit utilized in the atmospheric oxy-combustion case except the degree of heat recovery possible allows the low-pressure (LP) feedwater heater train to be eliminated. This is a result of being able to capture the latent heat of evaporation of the moisture produced in the combustion (normally lost to the stack). The SPOC system outperforms the NETL atmospheric oxy-combustion baseline case by 3.3% points and the PCC case by 7.5% points. This performance increase is mainly a result of the improved heat recovery possible from the product flue gas and from the reduced auxiliary power consumption from the ASU and the CO 2 compression and purification unit over the atmospheric equivalent. The combined improvement in boiler efficiency and reduction in the steam turbine heat rate resulted in a net improvement in the overall plant efficiency by 0.61%, to 35.6% on a HHV basis. This relatively small improvement in plant efficiency between sub-bituminous and bituminous coals shows the value of useful moisture latent heat recovery offered by the SPOC system when using low rank fuels. Flexibility and Turndown: The SPOC system has inherent high turndown capabilities because of a demonstrated high range of combustion stability and the ability to bypass stages, thereby reducing steam generation rates proportionally without altering firing rates in operating stages. ASU units do not generally offer significant turndown opportunities as they are limited by the performance of the compression plant. The baseline SPOC design has a 2-train ASU configuration, needed to be able to meet the 10,500 tonnes per day duty, that can deliver efficient turndown points between 85–100% load with both trains operating, and at 45–50% load with a single train operating. Outside these operating points, the flexibility and efficiency are limited and may be uncompetitive at loads below 45% as the ASU systems are unable to turndown beyond 85% for the base case and 70% for the flexible case. The ASU cold box for the flexible case was designed to operate at loads between 40-100%, below this operating range the purity of the produced oxygen cannot be guaranteed, resulting in additional load for the CPU equipment. The additional power consumption of these cases yields an uneconomic operating condition with poor efficiency when operating at low loads such as 25% and 12%. To address this flexibility constraint, AL evaluated how the ASU configuration could be altered to deliver efficient oxygen supply over the load range. This involved integrating the compressor duties across both ASU trains into a shared duty arrangement with multiple compressors, strategically sized to deliver the duty required across all load ranges between 40–100% by enabling different combinations of the main air compressors and the booster air compressors. The oxygen purity cannot be guaranteed below 40% load for each train – the power consumption at 25% and 12% loads were estimated based on the multi-compressor configuration at maximum turndown as these load cases were not considered in the flexible ASU design. With a different cold box configuration, i.e. number of trains, the entire load range could be delivered within oxygen purity specifications. Although there is a small efficiency reduction at full load, there are significant improvements in overall plant performance during low-load operation. The exact ASU configuration needed will therefore be dependent on the expected operating profile of the unit. Economic Analysis: Cost estimates for the baseline and the flexible cases were developed using NETL baseline case data for common BOP items and an Association for the Advancement of Cost Engineering International Class 5 (conceptual/screening study) assessment of key components unique to the SPOC system. The capital, operating, and maintenance costs were assessed along with the first-year power cost, levelized cost of electricity, and CO 2 captured and avoided cost for the SPOC cases were compared against the relevant NETL baseline cases in January 2019 dollars. Both SPOC cases achieve a lower cost that the alternative NETL baseline cases (with the flexible SPOC case being slightly higher than the baseline SPOC case due to the compounded impact of higher capital costs and lower efficiency at full load). The SPOC cases deliver a lower cost of CO 2 avoided than the NETL baseline cases due to greater efficiency in generating low-carbon power. However, the cost of CO 2 captured is higher because the higher efficiency of the SPOC process generates less CO 2 , hence less needs to be captured, resulting in a high capital cost being shared over a reduced CO 2 quantity. The flexible ASU adds 1.6% overall to the plant cost in comparison to the baseline case, but the efficiency improvements at loads below 50% are significant. Subsequently, depending on the plant load-profile expectation, the flexible ASU would be beneficial if the plant spends a significant portion of its operating life below 50% load. This kind of operating profile is likely to be required for all fossil plants when more renewable electricity generators are installed on the local grid, particularly solar power that can be predicted ahead of time, allowing for appropriate pricing signals to be incorporated into the diurnal cycle. R&D Recommendations: SPOC, while a promising technology, is a relatively recent concept and, as such, operability issues of combustor design and steam-side integration for such systems at a scale relevant to commercial deployment have not been evaluated. WUSTL has conducted extensive small pilot-scale (100 kWth) research to understand and advance pressurized oxy-combustion processes, including investigation of combustion and flame characteristics, radiative heat flux, burner operability, turn down, char burnout, ash characteristics, water-wash column operation, etc. for pressurized oxy-combustion systems. Nonetheless, at this stage in the development of the SPOC process, what is needed is a large-scale pilot plant that can serve to study pressurized oxy-combustion systems and components at a scale commensurate with the maturity of the technology. A scale of 10 MWth, which includes steam-side integration and two stages would yield essential information with respect to heat transfer characteristics both in the radiative and convective sections of the pressure vessels, and the ability to operate the fuel staging process. In addition, while modeling results indicate that combustion and flame characteristics improve with scale, direct studies of the combustor at this scale will ensure that the models can be relied upon for scale up to commercial scale. Furthermore, a detailed analysis must be performed to understand the scaling aspects of key components and systems.

20 FOSSIL-FUELED POWER PLANTS↗

Development of a Thin Film Primary Surface Heat Exchanger for Advanced Power Cycles

This project objective is to develop a high-temperature design upgrade for an existing primary surface heat exchanger so that the redesigned hardware is capable of operation in CO 2 at temperatures up to 1,510°F (821°C) and pressure differentials up to 130 psi (9 bar). The heat exchanger is proposed for use as a recuperator in an advanced low-pressure oxy-fuel Brayton cycle that is predicted to achieve over 50% thermodynamic efficiency, although the heat exchanger could also be used in other high-temperature, low-differential pressure cycles. This report describes the progress to date, which includes continuing work performed to select and test new candidate materials for the recuperator redesign, final mechanical and thermal performance analysis results of various redesign concepts, and the preliminary design of a test loop for the redesigned recuperator including a budgetary estimate for detailed test loop design, procurement, and test operation. A materials search was performed in order to investigate high-temperature properties of many candidate materials, including high-temperature strength and nickel content. These properties were used to rank the candidate materials, resulting in a reduced list of nine materials for corrosion testing. Multiple test rigs were considered and analyzed for short-term corrosion testing and Thermal Gravimetric Analysis (TGA) was selected as the most cost-effective option for evaluating corrosion resistance of the candidate materials. In addition, tantalum, niobium, and chromium coatings were identified as potential options for increased corrosion resistance. The test results show that many materials exhibit relatively low weight gain rates, and that niobium and tantalum coatings may improve corrosion resistance for many materials, while chromium coatings appear to oxidize and debond quickly. Metallurgical analysis of alloys was also performed, showing evidence of intergranular attack in 282 that may cause long-term reliability problems in CO 2 service at these temperatures. However, long-term testing in a flowing environment is recommended in order to understand accurately the severity of the attack. Detailed economic modeling of the existing air cycle recuperator and CO 2 cycle recuperator options was also completed, including costs for material, fabrication, fuel, maintenance, and operation. The analysis results show that the increased capital cost for high-temperature materials may be offset by higher cycle efficiencies, decreasing the overall lifetime cost of the system. The economic analysis also examines costs associated with increased pressure drop and material changes for two redesign options. These results show that, even with slightly reduced performance and/or higher material costs, the lifetime cost per energy production may still be reduced by over 12%. The existing recuperator design information was provided by Solar Turbines, Inc. via several models, drawings, and design handoff meetings. Multiple fluid/thermal and structural models were created in order to analyze critical recuperator performance and mechanical strength in critical areas throughout the redesign process. These models were analyzed for a baseline condition (consistent with current Mercury 50 operation) for validation purposes. Results are presented for heat transfer coefficients and pressure drops, matching well with the existing operational data. Simulation of higher-temperature CO 2 conditions was also performed, showing a slight expected increase in both heat transfer and pressure drop. Mechanical analysis results for critical areas on the cross-flow and counter-flow sheets have also been obtained for air and CO 2 cases. These results show similar stresses in both cases but significantly reduced safety factors for the CO 2 case due to reduced yield and creep rupture strengths of alloy 625 at the higher temperatures. A concept brainstorm session and initial down-selection were completed in order to identify promising redesign options for further analysis. Detailed analysis of all promising redesign options was performed via finite element and computational fluid dynamic simulations in order to characterize mechanical and thermal-fluid performance of each option. These options included material change, various sheet thickness configurations, pitch and phasing of cross-flow and counter-flow sheets, and separator sheets. The analysis results have identified two viable redesign options that maintain existing safety margins optimally through a material change to Haynes 282 and (A) sheet thickness increases of 40% on the counter-flow sheet and 75% on the hot side cross-flow corrugation sheet or (B) addition of a separator sheet in the counter-flow section while maintaining the original counter-flow sheet thickness and increasing the cross-flow corrugation sheet thickness by 90% to account for the increase in cell height. While both options satisfy mechanical stress constraints, the separator sheet design has a higher part count, slightly reduced heat transfer, and slightly higher pressure drop than the first option and is not preferred. Finally, several test loop concepts have been developed for different full-scale and reduced-scale recuperator testing options. For each option, various loop components, such as heat exchangers, valves, heaters, and compressors, were evaluated in an effort to maximize utilization of existing resources. All concepts utilize an existing 3-MW CO 2 compressor, heater, and loop coolers, but the concepts vary by incorporating different amounts of new equipment for achieving various flow rates (all concepts operate at design pressure and temperature). The third concept achieves a 1 kg/s test without purchasing any costly equipment (coolers, heaters, blowers, etc.). Since the stacked cell design of the recuperator results in the same flow conditions at each core cell (even for a reduced-scale test). Thus, test loop Concept #3 was selected for the preliminary design. This loop design is detailed within the report, culminating in a budgetary estimate of $1,013,000.00 for the detailed design, construction, commissioning, and operation of a high-temperature recuperator test loop.

03 NATURAL GAS↗

AN AUTOMATED MACHINE LEARNING-GENETIC ALGORITHM FRAMEWORK WITH ACTIVE LEARNING FOR DESIGN OPTIMIZATION

The use of machine learning (ML)-based surrogate models is a promising technique to significantly accelerate simulation-driven design optimization of internal combustion (IC) engines, due to the high computational cost of running computational fluid dynamics (CFD) simulations. However, training the ML models requires hyperparameter selection, which is often done using trial-and-error and domain expertise. Another challenge is that the data required to train these models are often unknown a priori. In this work, we present an automated hyperparameter selection technique coupled with an active learning approach to address these challenges. The technique presented in this study involves the use of a Bayesian approach to optimize the hyperparameters of the base learners that make up a super learner model. In addition to performing hyperparameter optimization (HPO), an active learning approach is employed, where the process of data generation using simulations, ML training, and surrogate optimization is performed repeatedly to refine the solution in the vicinity of the predicted optimum. The proposed approach is applied to the optimization of a compression ignition engine with control parameters relating to fuel injection, in-cylinder flow, and thermodynamic conditions. It is demonstrated that by automatically selecting the best values of the hyperparameters, a 1.6% improvement in merit value is obtained, compared to an improvement of 1.0% with default hyperparameters. Overall, the framework introduced in this study reduces the need for technical expertise in training ML models for optimization while also reducing the number of simulations needed for performing surrogate-based design optimization.

Owoyele, Opeoluwa↗

TREAT Multi-SERTTA Neutronics Design and Analysis Support

Transient Reactor Experiment Test (TREAT) experiment vehicle design is necessary in preparation for TREAT facility restart and the resumption of transient testing to support current Accident Tolerant Fuel (ATF) characterization needs and future fuels testing requirements. Currently the most mature vehicle design is the Multi-SERTTA (Static Environments Rodlet Transient Test Apparatuses), which can accommodate up to four concurrent rodlet-sized specimens under separate environmental conditions. Development of this robust test vehicle design requires neutronics analyses to support optimization of the Power Coupling Factor (PCF) to efficiently maximize energy generation in the fuel rodlets and to perform essential safety analyses. Current Multi-SERTTA calculations support final design of this vehicle, the design process for other TREAT vehicles, and the development of analyses practices for upcoming transient testing experiments. Models of the preliminary design Multi-SERTTA vehicle with rodlets were prepared and neutronics calculations were performed using MCNP6.1 with ENDF/B-VII.1 nuclear data libraries. Discussion of results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Transmission electron microscopy characterization of the fuel-cladding chemical interactions in HT9 cladded U-10Zr fuel

Fuel cladding chemical interaction (FCCI) is a key phenomenon needs to be better understood to establish the design basis for U-10Zr metallic fuel performance. Characterizing the microstructure and chemical composition of FCCI at micron and sub-micron scale is critically important toward a more mechanistic understanding of FCCI phenomenon and its potential effects on cladding integrity and metallic fuel performance. This paper, by using transmission electron microscopy, investigated the FCCI region in HT9 cladded U-10Zr fuel irradiated to 5.7% FIMA burnup at a peak inner cladding temperature of 615 °C in Fast Flux Test Facility (FFTF). Four distinct layers are identified in the FCCI region. The migration of Fe into the fuel side leads to the formation of several U-Zr-Fe ternary phases, including ?-Fe0.5Zr0.32U0.18, e-Fe0.3Zr0.4U0.3, and ?-Fe0.06Zr0.23U0.71, mingled with UFe2, U6Fe, and U phase at various Fe penetration depth up to ~ 150 µm. On the cladding side, grain coarsening and significant lanthanides infiltration along grain boundaries are observed. Laves phase, (Fe,Cr)2(Mo,W), which typically does not exist in fresh HT9, is identified in a wide radial range in the cladding. The typical HT9 martensitic lath structure and pre-existing M23C6 precipitates disappear, partially or completely, depending on the radial distance from the fuel-cladding interface. Those microstructural and compositional changes could cause mechanical degradation in the HT9 cladding. The present characterization results will improve the understanding of FCCI phenomenon and facilitate the development of microstructure-informed FCCI modeling for metallic fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A comprehensive numerical investigation on spray models for Direct-Injection Spark-Ignition engines

Gasoline direct-injection spark-ignition (DISI) engines generate a large portion of their unburned hydrocarbon (UHC) and soot emissions during the cold-start phase. A predictive computational fluid dynamics (CFD) modeling framework can be used to understand the physical processes that characterize fuel spray evolution and fuel-film formation at cold start conditions, which can help to reduce engine-out particulate emissions. This study systematically evaluated spray submodels and developed a set of simulation best practices for physical-numerical submodels with the goal of enabling accurate simulations of liquid spray behavior in a DISI engine. Three comprehensive experimental datasets containing free-spray projected liquid volume (PLV), liquid volume fraction (LVF), and near-field X-ray radiography data were used to validate the simulation results and evaluate the spray submodels. Systematic analysis delved into injected parcel distribution, droplet collision, spray breakup, and evaporation via a detailed assessment of the relevant spray submodels. Moreover, the effects of turbulence models and the initial turbulent flow properties on the liquid spray evolution were examined. Based on extensive calibration efforts, a set of simulation best practices for the free spray was developed and validated against the PLV/LVF data. Simulation results indicated that the uniform distribution for parcel initialization, coupled with appropriate droplet collision submodels, provides an improved spray morphology compared to the cluster distribution. The findings also underscored the importance of calibrating the Kelvin-Helmholtz Rayleigh-Taylor (KH-RT) breakup model constants and droplet heat transfer coefficient scaling factor to achieve favorable agreement regarding measured liquid penetration and spray widths. In conclusion, this study marks a substantial stride towards accurately predicting fuel film evolution and soot formation within DISI engine performance.

ECN Spray G↗

GDSA PFLOTRAN Development (FY2021)

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Application of NEAMS Multiphysics Framework for Species Tracking in Molten Salt Reactors

This report from Idaho National Laboratory (INL) summarizes the key modeling and simulation activities conducted under the Department of Energy (DOE) Molten Salt Reactor (MSR) Campaign during the Fiscal Year 2023 (FY23). The focus of the work was to leverage state-of-the-art modeling capabilities from the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) codes to enable novel multiphysics and multiscale modeling and simulation of MSRs. Through collaboration with NEAMS code developers, advanced multiphysics analysis capabilities for MSR systems were demonstrated by coupling depletion, thermal-hydraulics, and thermochemistry into an innovative framework for chemical species transport in MSRs. As a result, the framework can track nuclides throughout their lifetimes in the core, from production (depletion) to advection throughout the salt volume (thermal-hydraulics) and off-gassing or precipitation outside of the salt (thermochemistry). This work supports the near-term deployment of MSRs by integrating the synergistic efforts between the DOE’s MSR Campaign and NEAMS program. The resulting framework will help better connect system design modelers with experimentalists to better understand and predict complex physical behaviors in MSRs. Researchers and MSR developers alike can now leverage these new modeling and simulation capabilities to perform novel analyses with applications including: • MSR dynamics during normal operational transients and accident scenarios • Off-gas system design and performance for fuel cycle and depletion analysis • Corrosion and active chemistry control for reactor component health and lifetime determination • Source term, decay heat and activity determination in accident scenarios • Special nuclear material accountancy and chemical forensic analysis for safeguards • Digital twin development of experiments and experimental reactor demonstrations • Measurement requirements for instrumentation and control design • Uncertainty and sensitivity analysis of missing data to inform future experimental data collection.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Algal Biomass Conversion to Fuels via Combined Algae Processing (CAP): 2022 State of Technology and Future Research

The annual State of Technology (SOT) assessment is an essential activity for platform research conducted under the Bioenergy Technologies Office (BETO). It allows for the impact of research progress (both directly achieved in-house at NREL and furnished by partner organizations) to be quantified in terms of economic improvements in the overall biofuel production process for a particular biomass processing pathway, whether based on terrestrial or algal biomass feedstocks. As such, initial benchmarks can be established for currently demonstrated performance, and progress can be tracked toward out-year goals to ultimately demonstrate economically viable biofuel technologies. NREL's algae SOT benchmarking efforts focus both on front-end algal biomass production and separately on back-end conversion to fuels through NREL's "combined algae processing" (CAP) pathway. The production model is based on outdoor long-term cultivation data, enabled by comprehensive algal biomass production trials conducted under Development of Integrated Screening, Cultivar Optimization, and Verification Research (DISCOVR) consortium efforts and driven by data furnished by Arizona State University's (ASU's) Arizona Center for Algae Technology and Innovation (AzCATI) test bed site. The CAP model is primarily based on experimental efforts conducted under NREL research and development projects, with some process parameters provided by partner organizations. Assumptions regarding the wet storage of algae use data provided by Idaho National Laboratory (INL), while parts of the polyurethane production process leverage BETO-funded research from collaborators at Algenesis and the University of California, San Diego (UCSD). This report focuses on back-end conversion of algal biomass through the CAP pathway, highlighting the 2022 updates to minimum fuel selling price (MFSP). This update incorporates improvements to fermentation performance for two biological pathways through carboxylic acid and 2,3-butanediol (BDO) intermediates, as demonstrated through parallel research on the biochemical conversion of corn stover. Improvements are applied to the glucose fraction of the biomass only, while parameters regarding the conversion of the mannose fraction (not a significant component in corn stover) are maintained consistently with prior CAP SOTs. Additional parameters are also updated to reflect the most current understanding of each pathway, including an increase in the catalyst loading requirement in the ketonization step of the acids pathway and a decrease in the fermentation productivity in the BDO pathway. Additionally, the biomass feedstock costs (minimum biomass selling price [MBSP]), yields, and seasonal variability from the upstream cultivation SOT model were also incorporated into downstream Aspen Plus CAP models.

09 BIOMASS FUELS↗

SENSITIVITY EVALUATION OF THE DAILY THERMAL PREDICTIONS OF THE AGR-2 EXPERIMENT IN THE ADVANCED TEST REACTOR

A temperature sensitivity evaluation has been performed for the AGR-2 fuel experiment on an individual capsule. A series of cases were compared to a base case by varying different input parameters into the ABAQUS finite element thermal model. These input parameters were varied by ±10% to show the temperature sensitivity to each parameter. The most sensitive parameters are the outer control gap distance, heat rate in the fuel compacts, and neon gas fraction. Thermal conductivity of the fuel compacts and thermal conductivity of the graphite holder were in the middle of the list for sensitivity. The smallest effects were for the emissivities of the stainless steel and graphite, along with gamma heat rate in the non-fueled components. Sensitivity calculations were also performed varying with fast neutron fluence, showing a general temperature rise with an increase in fast neutron fluence. This is a result of the control gas gap becoming larger due to the graphite holder shrinkage with neutron damage. A smaller sensitivity is due to the thermal conductivity of the fuel compacts and graphite holder decreasing with fast neutron fluence.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗