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DOE OSTI2026

Annual Summary Report (FY 2025) Performance Assessment for the Integrated Disposal Facility

The purpose of this Annual Summary Report (ASR) for fiscal year (FY) 2025 is to evaluate the continued adequacy of the Integrated Disposal Facility (IDF) Performance Assessment (PA) and Disposal Authorization Statement (DAS). This report consolidates relevant monitoring data, modeling analyses, and regulatory reviews to demonstrate a reasonable expectation that the PA objectives and performance measures will be met, as required under DOE O 435.1, Radioactive Waste Management. The ASR follows the guidance in DOE-STD-5002-2017, Disposal Authorization Statement and Tank Closure Documentation, which provides a framework for maintaining the validity of the DAS through periodic assessment of facility performance and compliance with waste disposal requirements.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Computational Modeling of Molten Salt Infiltration and Oxidation in Nuclear Graphite

Graphite is utilized as a moderator and reflector in advanced nuclear reactor designs due to its high thermal conductivity, neutron moderation properties, and resistance to radiation damage. However, its longterm performance and reliability are challenged by degradation mechanisms such as molten salt infiltration in molten salt reactors (MSRs) and oxidation in gas-cooled reactors (GCRs). These mechanisms can compromise the structural integrity and operational lifetime of graphite components, necessitating a more detailed assessment of their physical behavior. This report focuses on the development of computational models for molten salt infiltration and oxidation of graphite to aid the design and performance analysis of graphite components. For molten salt infiltration, a computational framework is developed that couples incompressible Navier-Stokes and phase-field model to simulate the penetration of molten salt into graphite?s interconnected pore structure. Initial model verification is performed using two-phase flows in two dimensions, demonstrating the models ability to capture fundamental physical behavior and agree with analytical solution. This framework is then applied to a realistic IG110 nuclear graphite , where a computed tomography extracted pore geometry is used to analyse the infiltration behavior of FLiNaK molten salt. This model provides insights into how the microstructure and other relevant parameters influence the transport pathways of molten salt into graphite, potentially offering a means to rapidly evaluate a graphite grade?s resistance to infiltration. For oxidation, the report details pore-scale mass and heat transport models, describing the diffusion of gases, reaction kinetics, and thermal effects. Additionally, this report highlights inconsistencies in the existing volume-averaged macroscopic model, particularly in upscaling of reaction kinetics and flux terms, and surface to volume transformations. These inconsistencies suggest that current formulations may not accurately capture the experimentally observed graphite oxidation process, highlighting the need for improved model development. This work advances the development of physics-based computational models for graphite degradation, contributing to improved predictive models for next-generation nuclear reactor designs. Future efforts will focus on refining the infiltration model to address non-physical behaviors and enhance its robustness. Additionally, for oxidation, further studies will employ the principles of volume averaging to rigorously derive the upscaled equations, potentially in collaboration with subject matter experts.

Computational Modeling of Molten Salt Infiltration↗

DOE OSTI2021

Adoption of image-driven machine learning for microstructure characterization and materials design: A Perspective

Microstructure characterization enables the development of structure-processing-property relationships critical to several research areas within the broad field of materials science, from alloy design to the assessment of corrosion resistance, and failure analysis. Conventional approaches to material characterization have relied on either qualitative inference by the human ex-pert or software applications that can extract high-level features from images, such as boundary segmentation, average grain diameter, etc. Such approaches rely heavily on subject matter expert user intervention and knowledge of what phases or more generally, what microstructural features, are of interest. The recent surge in the adoption of machine learning techniques to address problems in materials engineering has brought with it an increased interest and application of Image Driven Machine Learning (IDML) approaches. In this work, we review the applications of IDML to the field of materials characterization. A canonical hierarchy of stages is defined, which when put sequentially together completes an IDML study: problem definition, dataset building, model selection and training, model evaluation, and integration with existing instrumentation or simulation workflow. The studies reviewed in this work are analyzed from the perspective of each of these stages. Such a review permits agranular assessment of the field, for example the impact of IDML on materials characterization at the nanoscale, the size of a typical dataset required to train a semantic segmentation model on electron microscopy images, ubiquitousness of transfer learning in the domain, etc. Finally, we discuss the importance of interpretability and explainability in the field of IDML for materials characterization, and provide an overview of two emerging techniques in the field: semantic segmentation and generative adversarial networks.

Baskaran, Arun↗

DOE OSTI2024

IMAGINE BioSecurity: Mesocosm-Based Methods to Evaluate Biocontainment Strategies and Impact of Industrial Microbes Upon Native Ecosystems

Project Goals: The Integrative Modeling and Genome-scale Engineering for Biosystems Security (IMAGINE BioSecurity) SFA project seeks to establish an understanding of the behavior of engineered microbes in controlled versus environmental conditions to predictively devise new strategies for responding to biological escape. To this end, the IMAGINE Team has established a plant-soil mesocosm platform to track and quantify the fate of industrial microbes in environmental systems and assess the efficacy of biocontainment constraints upon genetically engineered microbe escape frequency and the impact of industrial microbes upon native ecological microbiomes. Abstract Text: Genetically modified industrial production microbes and their associated bioproducts have emerged as an integral component of a sustainable bioeconomy. However, the rapid development of these innovative technologies raises biosecurity concerns, namely, the risk of environmental escape. Thus, the realization of a bioeconomy hinges not only on the development and deployment of microbial production hosts, but also on the development of secure biosystems and biocontainment designs. Current laboratory-based biocontainment testing systems do not accurately reflect complexities found in natural environments, necessitating an environmentally relevant analysis pipeline that allows for the detection of rare escapees, the effect of associated bio-products, and the impact on native ecologies. To this end, we have developed an approach that utilizes soil mesocosms and integrated systems analyses to evaluate the efficacy of novel biocontainment strategies and to assess the impact of production systems upon terrestrial microbiome dynamics. We demonstrate the utility of this approach by modeling a contamination with industrial microbial chasses versus their biocontained counterparts. Here we demonstrate the broad utility of this system by highlighting findings from both strains of Saccharomyces cerevisiae that are contained with an inducible toxin anti-toxin system, and stains of Escherichia coli that are contained via genomic recoding. The resultant data demonstrate that this system has broad utility across diverse microbial chassis and biocontainment strategies, enables us to track the fate of our contaminating microbe with high sensitivity in the soil, as well as monitor broader impacts of the perturbation on the underlying soil system. The findings presented here support the use of this mesocosm-based approach to assess the environmental impact of industrial microbes and to validate biocontainment strategies.

BASIC BIOLOGICAL SCIENCES,INORGANIC, ORGANIC, PHYS↗

DOE OSTI2020

High-Fidelity Large-Signal Order Reduction Approach for Composite Load Model

With the increasing penetration of electronic loads and distributed energy resources, conventional load models cannot capture their dynamics. Therefore, a new comprehensive composite load model is developed by Western Electricity Coordinating Council (WECC). However, this model is a complex high-order non-linear system with multi-time-scale property, which poses challenges on power system studies with heavy computational burden. In order to reduce the model complexity, the authors firstly develop a large-signal order reduction (LSOR) method using singular perturbation theory. In this method, the fast dynamics are integrated into the slow ones to preserve transient characteristics of the former. Then, accuracy assessment conditions are proposed and embedded into the LSOR to improve and guarantee the accuracy of reduced-order model. Finally, the reduced-order WECC composite load model is derived by using the proposed algorithm. Overall, simulation results show that the reduced-order large-signal model significantly alleviates the computational burden while maintaining similar dynamic responses as the original composite load model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

A Guide for Improved Resource Adequacy Assessments in Evolving Power Systems: Institutional and Technical Dimensions

This paper identifies and evaluates issues in traditional resource adequacy (RA) assessment practices, and how adjusting these practices may affect and depend on existing institutional arrangements for planning and procurement. The paper proposes a technical-institutional roadmap that would allow regulators in vertically-integrated jurisdictions and system planners and operators in restructured jurisdictions to revise RA practices across a range of components. First, we compile a critical review of current RA assessment practices based on (1) interviews with RA practitioners and (2) a review of recent technical literature. We find that (i) RA may need to expand beyond capacity adequacy to ensure energy adequacy – relevant for energy-limited resources such as storage – and potentially some form of ancillary service adequacy (e.g. enough ramping-up and ramping-down capability in the system); (ii) chronological hourly simulations for all hours in the year are the current best practice; (iii) metrics and models used do not reflect economic criteria in system operation and loss of load; and (iv) there is a need to improve representation of weather dependencies and weather data. Second, we review planning and RA reports for several private and public entities that plan generation and/or transmission infrastructure in the continental U.S. to look for existing practices involving resilience assessments. We find no systematic treatment of the costs of extreme weather and other hazards, the benefits of resilience, and resilience metrics in planning analyses and no systematic treatment of resilience metrics, methods, and outcomes for resource adequacy purposes. Third, we create a technical framework for probabilistic RA assessment and use it to study how key choices about how to model power system operations affect the values that are obtained for RA metrics. We find that (i) non-economic dispatch schemes that ignore economic objectives can lead to accurate RA assessments when coordinated with detailed operational strategies; (ii) multi-year data is critical to capture a wide variety of system conditions; (iii) not incorporating transmission limits into RA assessment could lead to substantial underestimation of traditional “expected value” RA metrics; and (iv) new RA metrics that capture event-specific shortfall characteristics should be used as supplements to traditional metrics. Finally, we examine RA assessments and use this information to propose a guide of evolving industry standards for resource adequacy assessments in resource planning and transmission planning. We report minimum, best, and frontier practices for temporal resolution of assessments, metrics and targets, weather data, load forecasting, characterization of variable renewable resources, characterization of transmission and market transactions, RA modeling and integration with planning processes, and capacity accreditation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

Probability of Hydrogen Ignition: A Landscape Review and Gaps Assessment

The primary hazard of a leak from a hydrogen system is due to the immediate or delayed ignition of the fuel leading to a jet flame or explosion. Therefore, understanding the hydrogen ignition probability is critical for analyzing the risk of hydrogen systems. This report reviews the current understanding of hydrogen ignition mechanisms and methods for modeling their probability. The stoichiometry, ignition strength, and ignition source temperature are all important characteristics that can affect both the probability of ignition and the outcome of the subsequent combustion event. A brief review of diffusion ignition demonstrates that ignition probability models must account for seemingly spontaneous ignition of hydrogen in addition to scenarios where the ignition source is readily identified. State-of-the art models for both immediate and delayed ignition probabilities are presented, including different physical aspects of the scenarios (e.g., flow rate, ignition source characteristics) that are considered in the different modeling approaches. Current models often fail to account for the unique properties of hydrogen compared to other fuels, and most lack rigorous validation with hydrogen as a fuel. A fault tree framework is proposed to systematically evaluate the probability of ignition by integrating various ignition mechanisms and their uncertainties. Furthermore, this type of framework could enable additional insights into the most important mechanisms and would enable uncertainty quantification in risk assessment modeling. Recommendations for future research include the need for experimental validation of ignition models and the development of comprehensive methodologies that incorporate the specifics of hydrogen behavior in real-world scenarios.

hydrogen↗

DOE OSTI2026

Framework for Modeling 3D-Printed Concrete Construction to Assess Energy Efficiency and Backup Power Trade-Offs in a Mixed-Use, New Construction Neighborhood Development

This paper presents a framework that expands the URBANopt(TM) modeling platform to include 3D-printed concrete wall assemblies and assess energy efficiency and backup power trade-offs in new housing developments. Applied to a planned mixed-use neighborhood in Oil City, Pennsylvania, the workflow integrates building energy and distributed energy resource (DER) modeling to evaluate envelope and equipment upgrades alongside DER operations. Results show that advanced 3D-printed envelopes combined with efficient systems and onsite photovoltaics (PV) and storage reduce energy use intensity and sustain critical loads during outages. The framework supports planning for emerging construction technologies by quantifying key trade-offs between energy efficiency and backup power performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Hybrid data-driven cement-stabilized soil design: An integration of machine learning, multi-objective optimization, and life cycle assessment

Soil stabilization is crucial in geotechnical engineering, yet conventional methods are often time-consuming, resource-intensive, and environmentally unsustainable. Despite growing interest in Machine Learning (ML) and optimization tools for mix design, few studies integrate these methods with decision-making techniques and environmental assessment to support practical implementation. This study proposes a hybrid data-driven framework for predicting strength, optimizing mix compositions, and evaluating environmental impacts via life cycle assessment of cement-stabilized soft soils. Six ML models were evaluated, and the top-performing eXtreme Gradient Boosting (XGB) model was further improved using the Grey Wolf Optimizer (GWO). The optimized XGB-GWO model, integrated with a polynomial cost function, served as the objective function in a multi-objective optimization problem solved via the Non-Dominated Sorting Genetic Algorithm II (NSGA-II), with final mix selection guided by the entropy-weighted TOPSIS method. Validation through a case study produced mix designs offering superior strength-cost trade-offs, with the optimal mix achieving 2243.2 kPa unconfined compressive strength and a 16.07 % reduction in carbon emissions compared to the highest-cost design. In conclusion, this study offers a sustainable, scalable approach to soil stabilization and supports informed decision-making in construction.

Life cycle assessment↗

DOE OSTI2026

Multibody for Everybody (M4E) - A Linearization Approach to Enable Frequency Domain Analysis, Time Integration and Control Co-Design

1.1 Background/Objectives: Marine energy represents a promising yet underexploited source of power. To increase the harvested power, significant efforts have been made to improve wave energy converter (WEC) modeling capabilities and optimize power take-off (PTO) performance; however, these efforts have often treated WEC dynamics, PTO design, and controller development sequentially. In contrast, control co-design (CCD) is emerging as a promising strategy to address these issues directly, creating a growing need for fast analysis tools suitable for repeated simulation and parametric studies [1]. To support this need, this work presents the Multibody for Everybody (M4E) [2] linearization module, which employs a symbolic toolbox to provide deeper insight of WEC design parameters. The objective is to demonstrate that a minimal-coordinate linearization of articulated WEC dynamics can provide accurate wave response predictions and substantial computational savings relative to nonlinear time-domain simulation, while preserving compatibility with broader wave-energy analysis workflows, enabling CCD. 1.2 Approach/Activities: The proposed approach linearizes the equations of motion, generated by M4E, in minimal coordinates about a selected operating point and combines the resulting system with frequencydomain hydrodynamic terms to incorporate the reduced mass, damping, stiffness, and forcing operators. The linearized model is used for both impedance-based response amplitude operator (RAO) prediction and rapid regular-wave time integration. The methodology is demonstrated on a single-flap device and a FOSWEC configuration, with linearized M4E responses compared against the corresponding nonlinear M4E simulations and WEC-Sim results. Regular-wave time histories, RAO trends, and runtime differences are assessed. The framework is also compatible with broader wave-energy workflows, including coupling to WecOptTool, although that capability is not the focus of this work [3]. 1.3 Results/Lessons: The linearized M4E model reproduces key regularwave response characteristics such as integration and Response Amplitude over multiple frequencies. This module matches nonlinear M4E and WEC-Sim results while substantially reducing integration cost. Thus, the proposed framework can serve as a rapid analysis layer for articulated WEC design, parameter studies, and controls-oriented workflows. The analysis is most appropriate in the near-equilibrium regime, about the linearization point.

16 TIDAL AND WAVE POWER↗

DOE OSTI2020

Advances in Multiscale Modeling of Lignocellulosic Biomass

Applications and associated processing technologies of lignocellulosic biomass are becoming more important as we endeavor to meet societal demand for fuels, chemicals, and materials from renewable resources. Meanwhile, the rapidly expanding availability and capabilities of high-performance computing present an unprecedented opportunity to accelerate development of technologies surrounding lignocellulose utilization. In order to realize this potential, suitable modeling frameworks must be constructed that effectively capture the multiscale complexity and tremendous variety exhibited by lignocellulosic materials. In our assessment of previous endeavors towards this goal, several important shortcomings have been identified: (1) the lack of multiscale integration strategies that capture emergent properties and behaviors spanning different length scales, and (2) the inability of many modeling approaches to effectively capture the variability and diversity of lignocellulose that arise from both natural and process-induced sources. In this perspective, we survey previous modeling approaches for lignocellulose and simulations processes involving its chemical and mechanical transformation, and suggest opportunities for future development to enhance the utility of computational tools to address barriers to widespread adoption of a renewable bioeconomy.

09 BIOMASS FUELS↗

DOE OSTI2020

Episodic hydrocarbon charge in tight Mississippian reservoirs of Central Oklahoma, USA: Insights from oil inclusion geochemistry

The unforeseen discovery of substantial hydrocarbons in ultra-tight Mississippian reservoirs in Oklahoma testifies to the complexity of the hydrocarbon charge across the flanks of the Nemaha Uplift. Based on crude oil and fluid-inclusion chemistry, the hydrocarbons at the western side of the Nemaha Uplift consist of highly-mature, thermally-cracked and less-mature uncracked hydrocarbons (0.50–1.4% calculated vitrinite reflectance, R c ). The oils are less mature on the eastern flank of the structure (0.5–0.7% R c ). Based on distributions of biomarkers and higher diamondoid (composed of three adamantane cages or more) distributions, the hydrocarbons entrapped within reservoir fluid-inclusions are sourced from the Woodford Shale and also from Mississippian carbonates. To our knowledge, this is the first work to describe oil correlations using diamondoids inside fluid inclusions. Petroleum compositions in the ultra-tight Mississippian reservoirs are highly variable, which highlights the need for a thorough assessment of mechanisms controlling charge. By integrating oil and fluid inclusion geochemistry and fluid-inclusion microthermometry with basin modeling, we show that the primary controls are: (1) proximity to the source-rock kitchen(s), (2) episodic charging from Permian through Cretaceous time, and (3) mixing.

58 GEOSCIENCES↗

DOE OSTI2024

Prioritization of Early-Stage Research and Development of a Hydrogel-Encapsulated Anaerobic Technology for Distributed Treatment of High Strength Organic Wastewater

This study aims to support the prioritization of research and development (R&D) pathways of an anaerobic technology leveraging hydrogel-encapsulated biomass to treat high-strength organic industrial wastewaters, enabling decentralized energy recovery and treatment to reduce organic loading on centralized treatment facilities. To characterize the sustainability implications of early-stage design decisions and to delineate R&D targets, an encapsulated anaerobic process model was developed and coupled with design algorithms for integrated process simulation, techno-economic analysis, and life cycle assessment under uncertainty. Across the design space, a single-stage configuration with passive biogas collection was found to have the greatest potential for financial viability and the lowest life cycle carbon emission. Through robust uncertainty and sensitivity analyses, we found technology performance was driven by a handful of design and technological factors despite uncertainty surrounding many others. Hydraulic retention time and encapsulant volume were identified as the most impactful design decisions for the levelized cost and carbon intensity of chemical oxygen demand (COD) removal. Encapsulant longevity, a technological parameter, was the dominant driver of system sustainability and thus a clear R&D priority. Ultimately, we found encapsulated anaerobic systems with optimized fluidized bed design have significant potential to provide affordable, carbon-negative, and distributed COD removal from high strength organic wastewaters if encapsulant longevity can be maintained at 5 years or above.

Anaerobic Treatment↗

DOE OSTI2020

Wildfire‐Smoke Aerosols Lead to Increased Light Use Efficiency Among Agricultural and Restored Wetland Land Uses in California's Central Valley

Abstract There are few observational studies measuring the ecosystem‐scale productivity effects of changes in incident diffuse photosynthetically active radiation (PAR diffuse ), especially related to wildfire smoke. Climate change‐induced increases to the duration and intensity of fire conditions have made smoke a common occurrence across western North America, with largely unquantified ecosystem feedbacks. Under equivalent amounts of radiation, increased atmospheric particulate matter could lead to a boost in productivity as scattering redistributes photons throughout multilayer canopies. In this work, we leverage a meso‐network of eddy covariance measurement sites across a unique array of managed and restored C 3 and C 4 canopy types to understand how recent wildfire smoke affected ecosystem productivity during the summer of 2018, an especially smoky year in the agriculturally productive Central Valley. We find that diffuse PAR diffuse increased by more than a third compared to the previous growing season, while total PAR was only slightly diminished. These conditions caused nearly a doubling of light use efficiency over the range of diffuse fraction observed, with the highest sensitivity to diffuse fraction exhibited by corn and alfalfa crops. We utilized an empirical model to assess the trade‐off between enhanced diffuse fraction and reduced total PAR. Under mean radiation conditions, daily integrated gross ecosystem productivity increased by 1.2–4.2% compared to the previous growing season. Finally, we explore the potential negative effect of heightened ozone, a copollutant often associated with wildfire. In addition to the effects of wildfire smoke, the results of this natural experiment can help validate future predictions of aerosol‐productivity feedbacks.

Hemes, Kyle S.↗

DOE OSTI2021

Modelling of Wastewater Heat Recovery Heat Pump Systems

Wastewater heat recovery is currently an underutilized technology that could be part of solving the climate crisis. A large portion of the heat that leaves a building in the form of wastewater is potentially recoverable for pre-heating domestic hot water or other service water systems. While there are several different approaches to wastewater heat recovery, this project focused on creating detailed, integrated building models for wastewater heat recovery heat pump systems. EnergyPlus models were developed featuring inputs and assumptions corresponding to manufacturers’ specifications, performance lab test data and feedback from engineering consultants. EnergyPlus’s supervisory control Energy Management System objects were heavily relied upon to overcome modelling challenges. The developed EnergyPlus model was integrated into U.S. Department of Energy New Construction Reference Building models for various climate zones and building types to assess potential energy use, energy cost and greenhouse gas emission reductions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Beryllium Isotopes in Rainfall for Stratospheric-Tropospheric Exchange Dynamics Experiment (BIRDIE) (Field Campaign Report)

The Beryllium Isotopes in Rainfall for Stratospheric-Tropospheric Exchange Dynamics Experiment or BIRDIE was a precipitation collection campaign designed to measure cosmogenic isotopes of beryllium in rainfall and other forms of precipitation across the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Southern Great Plains (SGP) atmospheric observatory. Precipitation samples were collected over three weeks (May 21-June 10, 2022) at 11 SGP sites across a 120-km 2 domain in northern and central Oklahoma. The field campaign targeted summertime convection rain events. We aimed to capture any spatial and/or temporal variability in the concentrations of beryllium-10 (10Be) and beryllium-7 (7Be) across the ARM SGP site during these rainfall events. The ratio of 10Be to 7Be (10/7Be) has been shown to be a powerful tracer for transport processes in the stratosphere-troposphere exchange (STE) system (e.g., Koch and Rind 1998). Any observed variability is analyzed to see if it could be linked to STE processes, including overshooting of deep convection clouds that penetrate the lower stratosphere. Six wet weather system events were collected within our three-week span. Five out of six of these rainfall events are classified as moderately to strongly convective. Those events are studied in more detail. The five systems also follow each other over a short period of 11 days. In our rainfall samples we observed spatial and event variability in the concentrations of beryllium-10 and -7 that resulted in variability of 10/7Be ratios. Each weather event appeared to exhibit a unique 10/7Be pattern across the domain that was not directly linked to storm total precipitation amount. To better understand the causes for this spatial variability, cloud characteristics in the domain were looked at to assess cloud type, cloud height, and depth information. We also ran Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model back trajectories to identify possible air mass and moisture origins across our events. Detailed analysis is ongoing. The purpose of this technical report is to provide background on using cosmogenic isotopes as atmospheric tracers, describe the experimental design, and present the beryllium concentration and ratio data. Lastly, we note that BIRDIE coincided with two other deep convection field campaigns in the area: The National Aeronautics and Space Administration (NASA)’s Dynamics and Chemistry of the Summer Stratosphere (DCOTSS) experiment (https://dcotss.org/) centered in Salina, Kansas, and the Targeted Observation by Radars and (uncrewed aerial systems) UAS of Supercells (TORUS) experiment (https://catalog.eol.ucar.edu/torus_2022) across the U.S. Central Plains. Additionally, a Lawrence Livermore National Laboratory ( LLNL) team at DCOTSS attempted to measure 10Be/7Be ratios on aerosols collected in situ in the lower and mid-stratosphere over Kansas using high-altitude balloons. Precipitation samples were also collected on the ground in Salina, Kansas.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Modeling and Analysis of a Thermophotovoltaic Integrated Self-Powered Furnace

This work investigates the energy efficiency and carbon reduction potential of self-powered residential building heating equipment using a thermodynamic modeling approach. An integrated thermophotovoltaic power module and residential scale furnace system (40,000 Btu/h) were modeled and studied in detail to assess the influence of different design configurations on primary energy efficiency. Operational characteristics such as total power generation, electrical efficiency, and heat recovery were examined in a self-powered system configuration. A sensitivity analysis was conducted to determine the influence of the electric grid’s carbon dioxide footprint (carbon intensity) and the cost of electricity on the environmental, as well as the economic, benefit associated with the self-powered configuration. Compared with a traditional furnace powered by an electric grid at a carbon intensity of 0.5 kg CO 2eq /kWh EL , the self-powered furnace was shown to decrease the annual carbon dioxide emissions by approximately 550 kg (~75% reduction), while also saving more than USD 200 in utility expenses, annually. Additionally, the carbon emission reduction potential of blending different concentrations of hydrogen in natural gas fuel was also studied.

14 SOLAR ENERGY↗

DOE OSTI2020

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in deep clay/shale/argillaceous rock. International collaboration activities such as heater tests and postmortem analysis of samples recovered from these have elucidated key information regarding changes in the engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of sampled bentonite material from such tests has as well as experiments conducted on these are key to the characterization of thermal effects affecting bentonite clay barrier performance and the extent of sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches (e.g., continuum vs. discrete) to tackle issues related to flow and transport at various scales of the host-rock and EBS design concept. Consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the EBS design. This is particularly important for backfilled repository concepts where temperature plays a key role in the EBS behavior and long-term performance. This report describes multiple R&D efforts on disposal in argillaceous geologic media through development and application of coupled THMC process models, experimental studies on clay/metal/cement barrier and host-rock (argillite) material interactions, molecular dynamic (MD) simulations of water transport during (swelling) clay dehydration, first-principles studies of metaschoepite (UO 2 corrosion product) stability, and advances in thermodynamic plus surface complexation database development. Drift-scale URL experiments provides key data for testing hydrological-chemical (HC) model involving strong couplings of fluid mixing and barrier material chemical interactions. The THM modeling focuses on heater test experiments in argillite rock and gas migration in bentonite as part of international collaboration activities at underground research laboratories (URLs). In addition, field testing at an URL involves in situ analysis of fault slip behavior and fault permeability. Pore-scale modeling of gas bubble migration is also being investigated within the gas migration modeling effort. Interaction experiments on bentonite samples from heater test under ambient and elevated temperatures permit the evaluation of ion exchange, phase stability, and mineral transformation changes that could impact clay swelling. Advances in the development, testing, and implementation of a spent nuclear fuel (SNF) degradation model coupled with canister corrosion focus on the effects of hydrogen gas generation and its integration with Geologic Disposal Safety Assessment (GDSA). GDSA integration activities includes evaluation of groundwater chemistries in shale formations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗