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DOE OSTI2024

Experimental Covariance Determination for Critical Integral Experiments

Integral benchmarks for criticality safety and nuclear data validation require expensive uncertainty quantification studies. In general, uncertainty quantification techniques ignore correlations between experiments and shared parts. Experiments, such as the TEX (Thermal/Epithermal eXperiments) campaigns, consist of many shared parts, such as the ‘Jemima’ HEU fuel plates, which create a strong correlation in their uncertainties. While these correlations are known to exist, they are often not estimated due to the complexity of such calculations. This paper describes an intuitive method of determining the covariance for each of the experimental components, providing a correlation for each family of parts across the multiple cases examined within a benchmark. A proof-of-principle study using the TEX-HEU experimental campaign was performed and verified that the correlations can be calculated with information commonly found in the ICSBEP (International Criticality Safety Benchmark Evaluation Project) benchmarks. This study showed that the introduction of model and experimental covariances reduces the χ 2 per degree of freedom from 2.203 to 1.179, indicating that the omission causes overly pessimistic bias quantifications. This technique can be seamlessly integrated to current benchmark evaluations as well as reevaluations of legacy benchmarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Development of Low-Cost, High-Performance, Easy-To-Apply, Non-Flammable, Inorganic Phase Change Material (PCM) Technology (Project Final Report)

This report describes a 45-months long research program focused on the development of novel, easy-to-apply, non-flammable, and high-performance inorganic phase change materials (PCMs) for building and industrial applications. The University of Massachusetts Lowell (UML) formed a world-class team consisting of researchers form InsolCorp (only N. American manufacturer of inorganic PCM systems for building applications), and a group of industrial advisors, to develop a universal/multipurpose, simple-to-manufacture and cost-effective PCM technology. The project team expects that the results of this work will spur in the future the adoption of thermal storage materials – a key building energy saving technology as identified by DOE BTO – for a variety of building envelope applications. The main goal of this project was to demonstrate a suite of low-cost, multipurpose, and durable inorganic PCM formulations with phase transition temperatures encompassing typical building applications (between +5 o C and +55 o C). The first objective was to design, fabricate, and experimentally validate a performance of inexpensive, durable, highly efficient, non-flammable, and easy to manufacture PCMs. To allow a variety of building applications, the project team focused on formulations that exhibit repeatable phase transitions between +5 o C and +55 o C. To follow the DOE BTO cost efficiency target without compromising thermal performance, our work was based on inorganic compounds (mostly salt hydrates) and their blends, which represent a fraction of the cost of most of organic PCMs with about twice as high density as well as significantly higher thermal conductivity and phase change enthalpy. The second objective was to develop easy-to-manufacture and -install packaging/encapsulation designs that are 1) a superior barrier to current state-of-the-art macro-packaging, which significantly reduces the risk of loss of hydration water and PCM leak, and 2) optimal in enhancing the heat exchange rates with the surroundings and within the PCM core to ensure complete charging/discharging of the entire PCM within the product. Finally, the project’s intend was to scale-up the fabrication process to demonstrate installation on system-scale applications, and to validate the performance under field conditions. This work aimed at developing low-cost, high-energy storage, and reliable latent heat storage technology for building applications. This development was realized by formulating and integrating the following two technology components: 1) inorganic salt hydrate based PCMs that have high latent enthalpies and are low-cost and durable, and 2) PCM encapsulation (packaging) technology that maximizes PCM concentration and enhances heat transport characteristics in the product and with the external environment/materials. High thermal storage capacity, low cost and fire resistance are key to the building market entry for PCM technology. Therefore, the project’s focus was on salt-hydrate-based formulations which satisfy all these criteria. Packaging and/or encapsulation of PCM is a key processing step. The project team recognized that a low-cost and simple-to-manufacture salt hydrate-based PCM technology holds the best chance to be successful in the building construction market, a market which is traditionally extremely sensitive to cost and where commodity thermal insulations are the benchmark for envelope-related energy saving measures. That is why, in this project, the main intention was to minimize the production cost and maximize the product energy storage density without sacrificing the PCM performance. It was achieved through: 1. Minimizing the non-PCM components (plastics, additives, packaging/encapsulation materials, etc.) because they are significantly more expensive than salt hydrates, 2. Using highly thermally conductive and lightweight PCM carrier (packaging material) to facilitate more complete phase cycling, and 3. Optimizing the thickness and minimizing air spaces in product design (such as in pouched PCM). For this purpose, our approach was to enable an easy system design, including selection of the PCM operating temperatures, optimizing the necessary heat storage capacity (by stacking together several layers of PCM products), and if needed, a synchronized usage of PCM products of different temperatures. A specially designed, robust, highly thermally conducting and highly impermeable packaging (to retain salt hydrate water during phase transition cycles) was designed and tested to increase the overall system thermal performance and durability. All PCM products developed during this project were tested in both lab scale and in full scale field conditions. It is expected that, after further developments and commercialization, the developed PCM technologies may be also applied in space conditioning, energy storage technologies, and heat transfer applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Simultaneously improving accuracy and computational cost under parametric constraints in materials property prediction tasks

Abstract Modern data mining techniques using machine learning (ML) and deep learning (DL) algorithms have been shown to excel in the regression-based task of materials property prediction using various materials representations. In an attempt to improve the predictive performance of the deep neural network model, researchers have tried to add more layers as well as develop new architectural components to create sophisticated and deep neural network models that can aid in the training process and improve the predictive ability of the final model. However, usually, these modifications require a lot of computational resources, thereby further increasing the already large model training time, which is often not feasible, thereby limiting usage for most researchers. In this paper, we study and propose a deep neural network framework for regression-based problems comprising of fully connected layers that can work with any numerical vector-based materials representations as model input. We present a novel deep regression neural network, iBRNet, with branched skip connections and multiple schedulers, which can reduce the number of parameters used to construct the model, improve the accuracy, and decrease the training time of the predictive model. We perform the model training using composition-based numerical vectors representing the elemental fractions of the respective materials and compare their performance against other traditional ML and several known DL architectures. Using multiple datasets with varying data sizes for training and testing, We show that the proposed iBRNet models outperform the state-of-the-art ML and DL models for all data sizes. We also show that the branched structure and usage of multiple schedulers lead to fewer parameters and faster model training time with better convergence than other neural networks. Scientific contribution: The combination of multiple callback functions in deep neural networks minimizes training time and maximizes accuracy in a controlled computational environment with parametric constraints for the task of materials property prediction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Risk-Informed and Performance-Based Evaluation of Defense-in-Depth Adequacy

This document supports the work contained in Nuclear Energy Institute (NEI) 18-04 “Risk-Informed Performance-Based Technology Inclusive Guidance for Advanced Reactor Licensing Basis Development” Revision 0. NEI 18-04 presents a modern, technology-inclusive, risk-informed, and performance-based (TI-RIPB) process for selection of Licensing Basis Events (LBEs); safety classification of structures, systems, and components (SSCs) and associated risk-informed special treatments; and determination of defense-in-depth (DID) adequacy for non-LWRs. The NEI guidance document provides one acceptable means for addressing the aforementioned topics as part of demonstrating a specific design provides reasonable assurance of adequate radiological protection. This report provides the framework and associated methodology guidelines and discussion for establishing, then evaluating, confirming, and documenting the adequacy of defense-in-depth (DID) for advanced non-light-water reactor technologies. It was developed as part of the Licensing Modernization Project led by Southern Company and cost-shared by the United States Department of Energy and has benefited from considerable NRC formal reviews and public workshops. The methodology converts the DID philosophy into a structured process that is implementable, embraces existing United States and international definitions and philosophies of DID that set the foundation for the process. It builds on the DID framework developed in the Department of Energy Next Generation Nuclear Plant Project and earlier works on this subject. The approach to establishing DID adequacy involves the incorporation of DID attributes into the plant capabilities and programmatic elements of DID. The integrated evaluation of DID adequacy includes both quantitative elements to incorporate risk-informed and performance-based (RIPB) considerations and qualitative elements that address uncertainties and limitations in the quantitative models and supporting data. Demonstration of DID adequacy ensures that there are multiple layers of defense for risk-significant challenges to the design and that the plant capabilities and programs that support each layer are provided in a manner that minimizes dependencies among these layers. The focus of this report is assurance of DID adequacy with respect to protection of the public from radiological exposures resulting from accidental releases of radioactive material. While other hazards are not specifically addressed, this methodology is expected to be beneficial for determining DID adequacy for them as well. Risk-informed evaluation of DID considers the integrated performance of all plant SSCs and associated programs to manage daily operational activities, transients, and accidents, including the evaluation of strategies for accident prevention and mitigation. The RIPB LBE scenario methodology used in this evaluation defines the challenges to the plant safety features included in the plant design basis and beyond, and the scope of all deterministic and probabilistic safety evaluations. By examining event sequences across the whole spectrum of LBEs, a systematic assessment of DID can be accomplished.

42 ENGINEERING↗
DOE OSTI2024

Thermal-hydraulic Performance of Emerging Low GWP Refrigerant Mixture under Flow Boiling in Brazed Plate Heat Exchangers

The hydrofluorocarbon (HFC) refrigerants used in the current refrigeration systems are facing a phase-down due to their higher greenhouse effect resulting in global warming, and thus HVAC&R industry has undergone a transition to low Global Warming Potential (GWP) refrigerants. Refrigerant mixtures are attractive alternatives since their composition can be tailored to comply with environmental regulations while preserving favorable thermophysical properties. However, the new low-GWP zeotropic mixture refrigerants have two or more components with different saturation temperatures at the same pressure level, known as temperature glide, which can cause the degradation of the overall heat transfer performance. The brazed plate heat exchangers (BPHX) provide excellent heat transfer performance due to a compact design and are used in several air-conditioning and refrigeration applications. In this study, flow boiling heat transfer and the associated pressure drop of the refrigerant mixture in a vertical BPHX were experimentally investigated. The single-phase water-to-water experiments were conducted in the tested heat exchanger with a counter-flow configuration. The flow boiling experiments charged with R-134a and R-454C were then performed in a pumped refrigerant loop to evaluate its thermal-hydraulic performance. Furthermore, parametric studies of various heat fluxes, mass fluxes, vapor qualities, and saturation temperatures were also conducted.

Yang, Cheng-Min↗
DOE OSTI2021

Preparation of defect-free asymmetric gas separation membranes with dihydrolevoglucosenone (Cyrene TM ) as a greener polar aprotic solvent

Nonsolvent-induced phase separation (NIPS) is widely used to prepare asymmetric gas separation membranes. Most industrial NIPS casting solution formulations are limited to a small group of glassy polymers and, importantly, require toxic polar aprotic solvents such as N,N-dimethylacetamide (DMAc), N,N-dimethylformamide (DMF), or N-methyl-2-pyrrolidone (NMP). Growing restrictions on the use of such solvents are spurring the search for more benign casting solution formulations that do not compromise membrane performance. Herein this study reports high-flux, defect-free asymmetric polysulfone (PSf) gas separation membranes prepared using dihydrolevoglucosenone (Cyrene TM ), a polar aprotic solvent that is believed to be safer than DMAc, DMF, and NMP, as the majority casting solution component. Optimized formulations and casting conditions produce membranes with hydrogen permeances exceeding 100 gas permeance units (GPU) and selectivities at or above those of dense PSf films. Dry/wet NIPS membrane performance improved with shorter dry step times and increased Cyrene TM loadings relative to the volatile solvent, tetrahydrofuran (THF), in the casting solution. The high water-Cyrene TM Flory-Huggins interaction parameter, $\mathcal{X}12$ , and high casting solution viscosities help suppress the formation of skin layer defects and sublayer macrovoids. In some cases, membrane selectivities were influenced by substructure resistance, providing insight into the relationship between sublayer morphology and membrane performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Understanding Material Strength Variabilities and Uncertainties for Component Qualification (2020 LDRD Final Report)

At its core, material specification and materials qualification require an understanding of the uncertainties in relation to a given performance metric. When simulations are used to inform the design and evaluation of these metrics, it is essential to understand the uncertainties in the underlying models and parameters that feed into those simulations. In this work, we have created a statistical framework to address uncertainties in the materials strength modeling used in integrated simulations. The framework is based on the Bayesian methodology, which allows for uncertainties to be updated as new data become available. The results of this work show how model parameters and their uncertainties can be updated as new and different types of strength data are added, as well as methods for determining which future experiment has the greatest potential to reduce the uncertainty. The statistical framework developed in this project will be utilized to assess and propagate the uncertainties in the strength models used in the programmatic simulations and to create a way to formally update those uncertainties as new data become available.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Identification of Promising Alternative Mono-Alcohol Fuel Blend Components for Spark Ignition Engines

Alcohols are attractive fuel blendstocks for spark ignition engines due to their high octane values and potentially positive influence on performance and emission. Although methanol, ethanol, and butanol have been widely studied, other biomass-derived alcohols may have similar or better properties. However, it is not feasible to experimentally investigate the fuel potential of every molecule. The goals of this study were to develop a methodology for rapid screening of a fuel property database for mono-alcohols and to identify alcohols with the potential of blending to produce advantaged motor gasolines. A database was developed with 13 fuel properties of all saturated C1–C10 mono-alcohols. A decision framework was used to evaluate alcohols suitable for blending in gasoline for spark ignition engines in two scenarios: low-range (up to 15 vol%) blends and high-range (greater than 40 vol%) blends. The low-range blend cases resulted in the identification of 48 alcohols. In the case of high-range blending, only six alcohols were found to be suitable. This is the first study to systematically evaluate all C1–C10 saturated alcohols for blending with gasoline using relevant fuel properties. A novel aspect of this study is the evaluation of the influence of errors in predicted property values. These scenario screenings focus attention on a smaller number of promising candidate molecules, and the approach could be modified for other classes of fuel molecules, engine types, and fuel blending goals.

42 ENGINEERING↗
DOE OSTI2020

Verification and Validation of the STAT7 Code

This document presents the verification and validation of the STAT7 Version 1.0 code which has been developed to perform the steady-state thermal hydraulic safety calculation of the MIT Research Reactor required upon conversion of the reactor from high enrichment uranium fuel to low enrichment uranium fuel. The key capabilites of the code including the statistical processing, water property generation, and thermal hydraulic solution are verified independently. While the first two capabilites are checked using statistical tests and NIST data tables, each component of the thermal hydraulic solution is verified using simple geometry test problems. The comparison between results obtained by the code and hand calculations on these problems shows that each of these components work correctly. Additionally, a comprehensive comparison between STAT7 Version 1.0 and PLTEMP/ANL Version 4.2 calculations for a five-channel test problem is performed for the validation. The good agreement between the obtained results for all thermal hydraulic parameters belonging to the fuel core region is achieved. An issue in bypass flowrate calculation was detected when both fin-friction and bypass flow claculations are involved. This problem can be corrected in a later version of the code, however, does not affect the application of STAT7 code as it has been used to date where the flow distribution in the core region and bypass channel is specified as an input parameter.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Verification and Validation of the STAT7 Code

This document presents the verification and validation of the STAT7 Version 1.0 code which has been developed to perform the steady-state thermal hydraulic safety calculation of the MIT Research Reactor required upon conversion of the reactor from highly enriched uranium fuel to low- enriched uranium fuel. The key capabilities of the code including the statistical processing, water property generation, and thermal hydraulic solution are verified independently. While the first two capabilities are checked using statistical tests and NIST data tables, each component of the thermal hydraulic solution is verified using simple geometry test problems. The comparison between results obtained by the code and hand calculations on these problems shows that each of these components work correctly. Additionally, a comprehensive comparison between STAT7 Version 1.0 and PLTEMP/ANL Version 4.2 calculations for a five-channel test problem is performed for the validation. The good agreement between the obtained results for all thermal hydraulic parameters belonging to the fuel core region is achieved. An issue in bypass flowrate calculation was detected when both fin-friction and bypass flow calculations are involved. This problem can be corrected in a later version of the code. However, it does not affect the application of STAT7 as it has been used to date where the flow distribution in the core region and bypass channel is specified as an input parameter.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Chimera Events for Performance Studies of the MicroBooNE Deep Learning-based Low Energy Excess Search

MicroBooNE is a short baseline neutrino oscillation experiment based at Fermilab that employs Liquid Argon Time Projection Chamber (LArTPC) technology. One of its target measurements is to investigate the nature of the excess of low energy electron-like events observed by MiniBooNE. This measurement will require an excellent understanding of systematic uncertainties, obtained through testing the performance of reconstruction algorithms on samples with known properties. However, using exclusively Monte Carlo events for this task is limited by how well the discrepancies between simulation and data are understood. An alternative is to test against samples of “chimera” events, which are made up of separate single-particle components from data that are combined to create neutrino-like events. These chimera events can be used to help quantify systematic uncertainties. This note covers the performance and status of creating and using chimera events that match a target neutrino topology in MicroBooNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Towards Fully Secure 5G Ultra-Low Latency Communications: A Cost-Security Functions Analysis

Future components to enhance the basic, native security of 5G networks are either complex mechanisms whose impact in the requiring 5G communications are not considered, or lightweight solutions adapted to ultra-reliable low-latency communications (URLLC) but whose security properties remain under discussion. Although different 5G network slices may have different requirements, in general, both visions seem to fall short at provisioning secure URLLC in the future. In this work we address this challenge, by introducing cost-security functions as a method to evaluate the performance and adequacy of most developed and employed non-native enhanced security mechanisms in 5G networks. We categorize those new security components into different groups according to their purpose and deployment scope. We propose to analyze them in the context of existing 5G architectures using two different approaches. First, using model checking techniques, we will evaluate the probability of an attacker to be successful against each security solution. Second, using analytical models, we will analyze the impact of these security mechanisms in terms of delay, throughput consumption, and reliability. Finally, we will combine both approaches using stochastic cost-security functions and the PRISM model checker to create a global picture. Our results are first evidence of how a 5G network that covers and strengthened all security areas through enhanced, dedicated non-native mechanisms could only guarantee secure URLLC with a probability of ~55%.

5G networks↗
DOE OSTI2020

Carbon Fiber Prepreg Recycling- Automated Perform Manufacturing Equipment (Final Technical Report)

Discontinuous fiber composites have a compelling business case as related to light metals such as aluminum and magnesium machined or die cast components. DFC’s have been in commercial production using carbon fiber/epoxy prepreg for both commercial aircraft and for military applications for a number of years and their usage is expanding into automotive and consumer goods components. Reasons for this include significantly lower cost as compared to continuous fiber composites easier design and understanding of the material by metal traditionalists, higher degree of part complexity with relatively simple and low cost molds when compared to high-pressure die casting, and potential for near zero waste. IACMI’s 10-year goals of reduction in carbon fiber reinforced plastics manufacturing cost by 25%, reduction in their embodied energy by 50%, and recyclability of 95% can all be advanced through robust recycling. With recycling We have shown that a 15% contribution in manufacturing cost reduction is feasible, that a significant reduction in embodied energy (over 90% for the recycled fraction) is achievable, and that when combined with primary pyrolysis recycling, the 95% target can be met. Large-scale application of advanced composites began with the aerospace industry, and CRTC’s location in Washington State provided access to a waste stream of nearly 900 tonnes/year that was going to landfill. As the aerospace industry has automated parts production, their material forms have become significantly easier to recycle, and some evidence of this exists for the future automotive and wind turbine components as well. CRTC decided to focus on re-purposing the carbon fiber/epoxy aerospace scrap streams through materials reformatting and reuse, and not on primary recycling (pyrolysis mainly) as this technology is commercially available. The main reasons for this were that it offers a route to effective use of the most widely available and consistent feedstock called edge-trim, as well as allows creation of complex and low-cost parts using rapid and cost-effective compression molding technologies. The reasons also include leading the way for potential automotive pre-preg recycling as the combination of roughly 85% virgin pre-preg and 15% recycled pre-preg directly supports IACMI’s goals and enables significant part cost reduction and a path to zero-waste composite manufacturing at the OEMs or Tier 1’s. The purpose of the project was to develop equipment and technology to transform continuous fiber pre-preg in roll forms into smaller chip-format DFC feedstock, and to determine impacts on moldability and performance based on lessons learned along the path. The availability of scrap from pre-preg manufacturers was a significant value to the program even though the aerospace pre-preg is designed to be autoclave molded thus has handling, tackiness, and processing factors that are not ideal for DFCs. The scope of the project was to develop a Phase 1 system that could identify and resolve some of the major hurdles, determine where to focus effort on building a commercial-scale Phase 2 system, and develop technology for handling a wide variety of incoming scrap materials to produce the most usable product. A chopping system was developed and reduced to practice via an experimental approach that enabled all forms of scrap coming from the pre-preg manufacturers and some forms of the scrap coming from OEM production lines to be very effectively re-purposed. The systems that were developed were not considered to be production robust but rather identified and resolved some of the major technical hurdles, and demonstrated the path towards effective full-scale commercialization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Broadband, High Efficiency OMT in E-Band

A high-performance, broadband E-Band orthomode transducer (OMT) was designed and fabricated for a dedicated frequency converter. Cross-polarized signals between 71 and 86 GHz, received in a TE 11 mode circular waveguide needed to be split into separate horizontal and vertical polarization channels. The purpose of the OMT is to service the 71–76 and 81–86 GHz licensed communication bands. The main goal of OMT design is maximized transmission across the design bandwidth. Every fraction of a dB lost before the first low noise amplifier is a direct loss in SNR for the overall system. Several different design approaches were simulated, and several OMT’s and ancillary components were built and tested. In the end, practical limitations determined the final path of the completed device. The final product performed several tenths of a dB better than commercially available devices and better than most reported in academic literature. Lessons learned included which construction techniques worked and did not work, as well as what compromises are acceptable.

42 ENGINEERING↗
DOE OSTI2022

Integrated Optimization and Control of a Hybrid Gas Turbine/sCO 2 Power System

During phase-I, the project team led by Echogen Power Systems (EPS) had two primary objectives based on investigating the application of gas turbines with supercritical carbon dioxide (sCO 2 ) power cycles. The first objective was to improve the overall efficiency and performance of a hybrid gas turbine/sCO 2 power system through a joint optimization of the two subsystems (gas turbine and sCO 2 power cycle) using non-linear optimization techniques that simultaneously evaluate thermal performance of the combined cycle. The hybrid power system included several points of interaction, including (but not limited to) gas turbine exhaust, fuel heating, inlet chilling and turbine cooling. The second objective was to establish a baseline transient response model of the hybrid power system and a notional microgrid and begin steps to integrate the control systems of the three major elements (gas turbine, sCO 2 cycle and grid controller). The project team established a baseline performance for a combined cycle power plant using a production gas turbine and scaled sCO 2 power cycle only utilizing exhaust heat recovery. Echogen’s non-linear techno-economic optimization code was extended by adding gas turbine component models derived from a in-house developed gas turbine design code. With the two cycles coupled by the gas turbine exhaust, design parameters of both cycles were allowed to vary simultaneously to determine performance opportunity versus isolated designs. Returning to the baseline gas turbine/sCO 2 power cycle transient models: Echogen had in-house developed sCO 2 cycle transient model in GT-Suite system simulation software, and had partnered with Siemens Finspång for gas turbine transient model, and Siemens PTI group to provide micro-grid load profile as well as hybrid power cycle generated load (power and frequency) analysis. The transient model for the SGT-750 Siemens gas turbine was a “black-box” functional mock-up interface (FMI) model developed by Siemens Industrial Turbomachinery in Finspång, Sweden. The SGT-750 is a twin-shaft gas turbine that produces 40 MW electricity with an efficiency of about 40% at ISO conditions. At 100% gas turbine throttle (load), the SGT-750 has average exhaust conditions of 114.6 kg/s and 469.8°C. The transient model for sCO 2 power cycle was developed by Echogen in GT-SUITE 1D system simulation software platform. The basic CO 2 flow circuit has single-shaft turbomachinery with net 11.5 MW electrical power output at design conditions. The power turbine has a double-ended shaft with one end connected to synchronous generator through a fixed-ratio gearbox. The other end of power turbine is connected to the compressor through a continuously variable transmission. The major components of the sCO 2 power cycle modeled include air cooled condenser/cooler, CO 2 compressor, recuperator, two waste heat exchanger coils, power turbine, continuous variable transmission, gearbox and generator. Integration of SGT-750 transient model and sCO 2 power cycle transient model was done in Matlab Simulink. In the integrated model, the gas turbine and sCO 2 power cycle interacted at two points, first one being the gas turbine exhaust gas flow rate and temperature, which were inputs to sCO 2 power cycle model. The second point was the distribution of micro-grid load demand signal between the SGT-750 generator and sCO 2 cycle generator. For a given combined-cycle load demand, the gas turbine load demand was equal to the total demand minus the sCO 2 cycle power generated. In the present study the integrated model was simulated for two cases of grid load demand: (i) for a step change, both positive-step and negative-step, in grid load demand (ii) for a micro-grid load demand curve provided by Siemens PTI group. Finally, the time series plots representing load demand versus integrated system response were presented including the sCO 2 power cycle control system performance plots. The actual generated power and frequency of both the generators, gas turbine and sCO 2 power cycle, was supplied to Siemens PTI group for dynamic grid assessment, results of which are provided in appendices.

03 NATURAL GAS↗
DOE OSTI2023

Framework for Characterizing the Performance of High-Early Strength, High-Volume Fly Ash (HVFA) Concrete Structures

This presentation will highlight the development of a comprehensive framework to characterize the performance of high-volume fly ash (HVFA) concretes at early ages and discuss the resulting implications for concrete structures built using such materials. Achieving high-early compressive and/or flexural strength is often of particular importance for precast and/or prestressed concrete components – due to early age loading demands resulting from lifting, handling, or application of initial prestress – or other types of concrete structures that can significantly benefit from rapid strength development - such as for bridge deck repairs. The framework first includes a methodology for optimizing the strength of HVFA cementitious binders before subsequently scaling up the technology to evaluation of fresh and hardened HVFA concrete performance. A series of trial mix designs will be presented to demonstrate the effectiveness of the framework to achieve not only the desired high-early strength targets but also satisfactory workability, often in the form of self-consolidating concrete. Mechanical performance was evaluated at several age-dependent milestones and, in conjunction with estimating concrete strength using the maturity method, was ultimately used to facilitate the development of novel strength development history curves. By way of these datasets, concrete mechanical properties were utilized in the design of prototype structural components, such as beams and wall panels, for subjection to larger-scale experimental testing. Implications for other pertinent HVFA concrete performance attributes, such as shrinkage or creep, will also be discussed. The framework also includes a comprehensive methodology for evaluating the environmental life-cycle performance of HVFA concrete structures focused on mitigating any unwarranted environmental consequences resulting from beneficial HVFA reuse in concrete. Strategies for more widespread implementation of HVFA concrete materials into construction practice will also be presented. Lastly, the role of the HVFA concrete framework towards the development of new provisions for building codes and/or design standards, and recommendations for future research needs will also be discussed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Quantitative Analysis of Origin of Lithium Inventory Loss and Interface Evolution over Extended Fast Charge Aging in Li Ion Batteries

During the extreme fast charging (XFC) of lithium-ion batteries, lithium inventory loss (LLI) and reaction mechanisms at the anode/electrolyte interface are crucial factors in performance and safety. Determining the causes of LLI and quantifying them remain an essential challenge. We present mechanistic research on the evolution and interactions of aging mechanisms at the anode/electrolyte interface. We used NMC 532 /graphite pouch cells charged at rates of 1, 6, and 9 C up to 1000 cycles for our investigation. The cell components were characterized after cycling using electrochemical measurements, inductively coupled plasma optical emission spectroscopy, 7 Li solid-state nuclear magnetic resonance spectroscopy, and high-performance liquid chromatography/mass spectrometry. The results indicate that cells charged at 1 C exhibit no Li plating, and the increase of SEI thickness is the dominant source of the Li loss. In contrast, Li loss in cells charged at 9 C is related to the formation of the metallic plating layers (42%) the SEI layer (38.1%) and irreversible intercalation into the bulk graphite (19%). XPS analysis suggests that the charging rate has little influence on the evolution of SEI composition. The interactions between competing aging mechanisms were evaluated by a correlation analysis. In conclusion, the quantitative method established in this work provides a comprehensive analytical framework for understanding the synergistic coupling of anodic degradation mechanisms, forecasting SEI failure scenarios, and assessing the XFC lithium-ion battery capacity fade.

25 ENERGY STORAGE↗
DOE OSTI2025

From TPL assessment to design optimization: Wave energy converter control co-design applied to the RM3

The Reference Model (RM) project developed six marine energy converter concepts using a sequential design methodology, which, while widely adopted in the industry, often overlooks interactions between system components, resulting in suboptimal designs. One such example is the Reference Model 3 (RM3), a two-body point absorber wave energy converter (WEC). An assessment using the Technology Performance Level (TPL) revealed that RM3’s low power-to-cost ratio, partly due to expensive steel construction, limits its techno-economic performance. Here, this study aims to redesign RM3 by reducing its scale and employing control co-design to integrate WEC and Power Take-Off (PTO) dynamics, constraints, and cost considerations within an optimization framework. We demonstrate the limitations of RM3’s current PTO design and explore the benefits of scaling down to enhance techno-economic viability by lowering material costs. Using WecOptTool, we conduct a parameter sweep over gear ratios and spring stiffnesses for various Commercial Off-The-Shelf generators in irregular wave conditions. Our findings emphasize the importance of aligning PTO components with WEC dynamics, showing that control co-design and strategic scaling can improve RM3’s power-to-cost ratio. This study presents a transferable example of applied control co-design for other WECs, supporting early-stage developers in their design decisions.

Off the shelf components↗