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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Hierarchically Informed Engineering Models for Predictive Modeling of Turbulent Premixed Flame Propagation in Pre- chamber Turbulent Jet Ignition

The goal of the project is to improve the predictive accuracy and efficiency of turbulent combustion sub-models for pre-chamber turbulent jet ignition (TJI). This goal is achieved through the development of a hierarchically informed engineering model for turbulent combustion in TJI. The model development starts with the highest level of model description of turbulent combustion with direct numerical simulation (DNS) from which fundamental characteristics and scaling properties of turbulent premixed flame propagation under TJI relevant conditions are obtained.

42 ENGINEERING

Understanding Model Inadequacy in TRISO Nuclear Fuel Fission Products Release Models: Empirical and Mechanistic Approaches

The increasing use of tristructural isotropic (TRISO) particle fuel in both advanced and existing reactors necessitates a thorough evaluation of uncertainties and shortcomings in TRISO fission product release models. These inadequacies arise from the simplifications made in computational models compared to experimental data. Utilizing the BISON fuel performance code and experimental data from the Advanced Gas Reactor (AGR) program provides a unique chance to rigorously assess these inadequacies within a Bayesian uncertainty quantification (UQ) framework. This study contrasts the standard Bayesian framework with the Kennedy-O'Hagan (KOH) framework, which explicitly accounts for modeling inadequacies, in the context of UQ for TRISO silver release models. It examines both the traditional Arrhenius equation and a more advanced lower-length-scale (LLS)-informed model that incorporates microstructure information. The inverse UQ process applied to AGR-2 and AGR-3/4 datasets identified modeling inadequacy as the primary source of uncertainty, with experimental noise also being significant, while model parameter uncertainty was minimal. Both the Arrhenius and LLS-informed models showed similar levels of modeling inadequacy. For forward predictive UQ using the AGR-1 dataset, the KOH framework enhanced the accuracy and quality of quantified uncertainties by approximately 30% and 40%, respectively, compared to the standard Bayesian framework. This improvement was observed for both the Arrhenius and LLS-informed models. At the engineering scale, both models performed similarly, but the LLS-informed model outperformed the Arrhenius equation at the mesoscale. These findings underscore the importance of explicitly considering modeling inadequacy in the UQ process and highlight the need for ongoing refinement of physics-based models to address these shortcomings.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Unpacking model inadequacy: The quantification of silver release from TRISO fuel by considering empirical and mechanistic approaches

Increasing adoption of the proposed tristructural isotropic (TRISO) particle fuel for both advanced and existing reactors makes it critical to assess and address any uncertainties and inadequacies of TRISO fission product release models. Model inadequacy stems from simplifications made to the computational model when compared to the experiments. The modeling and simulation efforts conducted using the BISON fuel performance code, along with the experimental campaigns carried out under the Advanced Gas Reactor Fuel Development and Qualification Program, afford a unique opportunity to conduct a rigorous modeling inadequacy assessment within the Bayesian uncertainty quantification (UQ) framework. Here, this study compares the standard Bayesian framework against the Kennedy-O'Hagan (KOH) framework, which explicitly represents modeling inadequacy, in regard to UQ for TRISO silver release models. For this purpose, both the traditional Arrhenius equation fitted to experimental data and the more advanced lower-length-scale (LLS)-informed model, which considers microstructure information, are independently considered. Applying the inverse UQ process on the AGR-2 and -3/4 datasets revealed modeling inadequacy to be the most dominant source of uncertainty. Experimental noise uncertainty is also significant; however, model parameter uncertainty can be considered negligible. Interestingly, both the Arrhenius equation and the LLS-informed model demonstrated similar levels of modeling inadequacy. For the forward predictive UQ, the KOH framework improved both the accuracy and quality of quantified uncertainties in comparison to the standard Bayesian framework. This is true for both the Arrhenius equation and the LLS-informed model. In comparing these modeling approaches, both demonstrated similar performance at the engineering scale, while the LLS-informed model expectedly outperformed the Arrhenius equation at the mesoscale. These conclusions highlight the importance of explicitly accounting for modeling inadequacy in the UQ process, and reinforce the need for continuous refinement of physics-based models in order to address the modeling inadequacy.

Advanced reactors

Physics-informed hybrid modeling methodology for building infiltration

Infiltration is responsible for one-third to one-half of the space conditioning load of a typical residential home, but the modeling of infiltration for building energy modeling is either represented by over-simplified equations or dependent on over-generalized rules of thumb. Here, this paper develops a physics-informed data-driven methodology for modeling infiltration using building-specific empirical measurements. The developed hybrid methodology combines machine-learning categorization and grey-box sub-modeling to improve the accuracy and generalization of commonly used grey-box infiltration models. The developed methodology excels at predicting infiltration by improving the ability to predict infiltration under unseen environmental conditions using machine learning algorithms with physical significance. In a case study conducted using the iUnit, a modular studio apartment experimental test facility located at the National Renewable Energy Laboratory, we use empirical airtightness measurements to fit an infiltration model using the developed methodology. We find that the developed methodology can improve the overall model accuracy by 43% and improve extrapolation by 38%, compared with the model based on the common grey-box infiltration equation. We also notice that the selected features can improve the performance of a pure machine-learning model, indicating that our methodology identifies the features with the most physical significance to infiltration modeling.

97 MATHEMATICS AND COMPUTING

Data-Driven Kinetic Reaction Networks for Separation Chemistry

Understanding complex, multistep chemical reactions at the molecular level is a major challenge whose solution would greatly benefit the design and optimization of numerous chemical processes. The separation of rare-earth (4f) and actinide (5f) elements is an example where improving our chemical understanding is important for designing and optimizing new chemistries, even with a limited number of observations. Here, in this work, we leverage data-driven artificial intelligence and machine-learning approaches to develop kinetic reaction networks that describe the liquid–liquid extraction mechanism of uranium using N,N-di-2-ethylhexyl-isobutyramide (DEHiBA). Specifically, we compare and contrast the properties of two classes of models: (1) purely data-driven models that are regularized using chemistry-agnostic, L1 regression and (2) chemistry-informed models that are regularized using relative reaction energies provided by quantum mechanical calculations. We observe that purely data-driven models are unbiased, simple, and accurate in their predictions of experimental measurements when provided with sufficient data but are difficult to fully constrain and interpret. In contrast, chemistry-informed models exhibit significantly improved chemical interpretability and consistency, providing a detailed description of the separation process while achieving high accuracy through ensemble averaging. Overall, the dominant species predicted to be extracted into the organic phase is UO 2 (NO 3 ) 2 (DEHiBA) 2 , agreeing with experimental slope analysis, thermodynamic modeling, EXAFS, and crystal structures. This work demonstrates that leveraging the fundamental structure of the problem can lead to efficient learning schemes that provide both accurate predictions and chemical insights at a low computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Ten questions on building stock modeling to inform energy efficiency and sustainability

To enhance economic competitiveness and ensure energy efficiency, resilience, and security, cities and governments are adopting technologies and strategies to improve their existing building stocks. This approach aims to reduce energy use, improve energy affordability, and ensure a reliable power supply while safeguarding occupants during extreme weather events that may disrupt energy services. The effectiveness of these solutions will depend on building stock characteristics, use patterns, weather conditions, evolving technologies and their markets, and a city’s socio-economic conditions. This paper presents ten questions and answers that highlight the most important issues regarding the use of building stock modeling as a powerful tool to provide insights for informing stakeholders’ actions and decision-making on energy efficiency, costs reduction, and resilience of buildings in cities. Building stock modeling should build upon the fit-for-purpose framework, balancing the use case accuracy requirements, level of complexity, and needed resources (expertise, compute). The advancements in Artificial Intelligence (AI), the increasingly available open dataset of building stock in cities, and the more affordable powerful computing will accelerate the adoption of building stock modeling across scales by researchers and practitioners to inform decision making on sustainability and efficiency.

AI

Sensitivity analysis of thermal contact conductance modeling to inform MiniFuel irradiation capsule designs

The MiniFuel irradiation platform has been developed by Oak Ridge National Laboratory as a flexible, high-throughput separate effects testing capability within the High Flux Isotope Reactor (HFIR). Finite element thermal models are relied upon to design MiniFuel experiments to achieve a specific time-averaged irradiation temperature for experimental objectives. A previous study identified that uncertainty in the component heat generation rates and thermal contact conductance (TCC) model are the most significant contributors to predicted fuel temperature variance. To address both sources of uncertainty, this work performs sensitivity analysis on the TCC model to identify high-impact, high-uncertainty parameters that contribute to fuel temperature variance. The TCC model is analyzed in increasing detail, first using a standalone Python code, then again after coupling Python to the BISON fuel performance code. Furthermore, the parameters with the largest contributions to fuel temperature variance which can be reduced through design changes are identified as the initial subcapsule gas pressure, contact pressure between the fuel and dish, and the effective surface roughness of the interface. A set of design recommendations for future capsule designs has been established and applied to reduce the previously quantified average fuel temperature uncertainty ranges of ± 40 °C in the HFIR vertical experiment facilities (VXF) and ± 80 °C in the removable beryllium (RB) reflector to approximately ± 32 °C and ± 53 °C, respectively. This equates to a 21 % and 33 % reduction in the uncertainty range of the average fuel temperature for VXF and RB, respectively.

BISON

Wake-Resolving Acoustic Tomography: Advances through Numerical Covariance Methods

Acoustic tomography offers path-integrated measurements of atmospheric velocity and temperature fluctuations with high spatial resolution. Classical implementations of time-dependent stochastic inversion rely on homogeneous, isotropic covariance models that are poorly suited to the anisotropic structure of wind turbine wakes. By directly estimating heterogeneous covariances from large-eddy simulations (LESs) into the time-dependent stochastic inversion operator, we relax implicit assumptions in the analytical models used historically. Retrievals using these LES-informed models improve agreement with true fields in variance, turbulent kinetic energy, and spectral content compared to analytical and precursor-based covariance models. The results indicate that LES-informed covariance models can enhance the accuracy of acoustic tomography retrievals in complex, anisotropic flows such as wind turbine wakes in some cases and highlight instances where analytical models still offer competitive performance, despite their simplifying assumptions.

17 WIND ENERGY

Scenario Generation for Built Environment Decision Support under Uncertainty: Case Studies of Airflow Modeling and Climate-Resilient Infrastructure System Design

When confronted with unforeseen challenges, practicing informed decision making is crucial for enhancing resilience in the built environment. While scan-to-building information modeling (BIM) is a well-established approach for creating detailed digital representations of physical assets, its application in assessing and improving infrastructure resilience remains underexplored. This study addresses this gap by proposing a novel application of scan-to-BIM, namely, scan-to-BIM-to-digital twin (S-BIM-DT) workflow. By integrating reality capture and digital twin technologies, this workflow creates continuously updated and accurate digital representations of physical assets, enabling the generation of various scenarios. Unlike traditional methods, the S BIM-DT workflow facilitates continuous model refinement, supporting informed resilience strategies. By combining these technologies into a cohesive process, the workflow facilitates decision making under uncertainty, enabling stakeholders to evaluate and respond to various scenarios effectively. We demonstrate the implementation of the S-BIM-DT workflow through two use cases that highlight its capability to enhance resilience at different scales. The first use case involves the Combined Transportation, Emergency, and Communications Center (CTECC) in Austin, Texas. BIM-enriched computational fluid dynamics (CFD) modeling simulates airflow and develops alternative scenarios for optimizing the heating, ventilation, and air conditioning (HVAC) systems. This approach enhances resilience against airborne health threats in a postCOVID context. The second use case focuses on designated areas within Beaumont, Texas, as part of the Southeast Texas Urban Integrated Field Laboratory (SETx-UIFL) research. By developing inundation maps to assess extreme weather events, this modeling aids in preparedness efforts and informs the development of climate-resilient infrastructure in vulnerable neighborhoods. Results indicate that the S-BIM-DT workflow effectively generates scenarios that enhance resilience in the built environment by facilitating informed decision making. Furthermore, this study serves as a bridge between advanced scan-to-BIM methodologies and the practical strategies needed to improve built infrastructure resilience.

Built environment

Cloud-based Testbed for Adaptive Under-Frequency Load Shedding with High DER Penetration

Increasing penetration of distributed energy resources and behind-the-meter renewables may soon disrupt the efficacy of critical protection schemes, such as under-frequency load shedding (UFLS). Improved data exchange and coordination across the transmission-distribution boundary will be required to maintain reliability of bulk electric system. Standards-based data integration platforms using agreed-upon semantic vocabularies, such as the Common Information Model, will be key to enabling adaptive protection schemes requiring synthesized data from both the bulk power system and behind-the-meter resources. This paper introduces a cloud-based open-source data integration environment and UFLS clustering algorithm being developed to enable adaptive relay coordination between transmission and distribution utilities in the state of Vermont.

Anderson, Alexander A.

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY

Metaproteomics-informed stoichiometric modeling reveals the responses of wetland microbial communities to oxygen and sulfate exposure

Abstract Climate changes significantly impact greenhouse gas emissions from wetland soil. Specifically, wetland soil may be exposed to oxygen (O 2 ) during droughts, or to sulfate (SO 4 2- ) as a result of sea level rise. How these stressors – separately and together – impact microbial food webs driving carbon cycling in the wetlands is still not understood. To investigate this, we integrated geochemical analysis, proteogenomics, and stoichiometric modeling to characterize the impact of elevated SO 4 2- and O 2 levels on microbial methane (CH 4 ) and carbon dioxide (CO 2 ) emissions. The results uncovered the adaptive responses of this community to changes in SO 4 2- and O 2 availability and identified altered microbial guilds and metabolic processes driving CH 4 and CO 2 emissions. Elevated SO 4 2- reduced CH 4 emissions, with hydrogenotrophic methanogenesis more suppressed than acetoclastic. Elevated O 2 shifted the greenhouse gas emissions from CH 4 to CO 2 . The metabolic effects of combined SO 4 2- and O 2 exposures on CH 4 and CO 2 emissions were similar to those of O 2 exposure alone. The reduction in CH 4 emission by increased SO 4 2- and O 2 was much greater than the concomitant increase in CO 2 emission. Thus, greater SO 4 2- and O 2 exposure in wetlands is expected to reduce the aggregate warming effect of CH 4 and CO 2 . Metaproteomics and stoichiometric modeling revealed a unique subnetwork involving carbon metabolism that converts lactate and SO 4 2- to produce acetate, H 2 S, and CO 2 when SO 4 2- is elevated under oxic conditions. This study provides greater quantitative resolution of key metabolic processes necessary for the prediction of CH 4 and CO 2 emissions from wetlands under future climate scenarios.

59 BASIC BIOLOGICAL SCIENCES

2019 and 2022 Twin Cities Travel Behavior Inventory Surveys

# 2019 and 2022 Twin Cities Travel Behavior Inventory Surveys To help local and regional planning agencies understand shifting demographics and travel patterns, surveys were conducted in Minnesota’s greater Twin Cities region in 2019 and 2022. Survey results aided the Metropolitan Council in proposing practical transportation investments, preparing competitive grant applications, and prioritizing improvements to best fit regional needs. ## Data Collection Agency RSG conducted the surveys for the Metropolitan Council. ## Survey Methodology These mixed-mode surveys focused on bus, rail, car, micromobility, ride-hailing, and walking. Designed as household travel surveys, they were carried out in English, Spanish, Karen, Oromo, Somali, and Hmong during two timeframes: Oct. 1, 2018—Sept. 30, 2019 and June 22, 2021—Feb. 5, 2022. Participants accessed the surveys using a smartphone-based app, website, or call center. A questionnaire captured data about demographics, daily travel activities, and typical transportation patterns to inform model updates and gain information about emerging behavioral changes such as electric vehicle adoption and teleworking frequency. It also addressed the impacts of COVID-19 on participants’ typical travel behavior. ## Survey Records, Data, and Documentation Survey records include a total of 31,251 participants—16,152 participants from 7,837 households during the 2019 survey and 15,099 participants from 7,952 households during the 2022 survey.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

2019 and 2022 Twin Cities Travel Behavior Inventory Surveys

# 2019 and 2022 Twin Cities Travel Behavior Inventory Surveys To help local and regional planning agencies understand shifting demographics and travel patterns, surveys were conducted in Minnesota’s greater Twin Cities region in 2019 and 2022. Survey results aided the Metropolitan Council in proposing practical transportation investments, preparing competitive grant applications, and prioritizing improvements to best fit regional needs. ## Data Collection Agency RSG conducted the surveys for the Metropolitan Council. ## Survey Methodology These mixed-mode surveys focused on bus, rail, car, micromobility, ride-hailing, and walking. Designed as household travel surveys, they were carried out in English, Spanish, Karen, Oromo, Somali, and Hmong during two timeframes: Oct. 1, 2018—Sept. 30, 2019 and June 22, 2021—Feb. 5, 2022. Participants accessed the surveys using a smartphone-based app, website, or call center. A questionnaire captured data about demographics, daily travel activities, and typical transportation patterns to inform model updates and gain information about emerging behavioral changes such as electric vehicle adoption and teleworking frequency. It also addressed the impacts of COVID-19 on participants’ typical travel behavior. ## Survey Records, Data, and Documentation Survey records include a total of 31,251 participants—16,152 participants from 7,837 households during the 2019 survey and 15,099 participants from 7,952 households during the 2022 survey.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

2019 and 2022 Twin Cities Travel Behavior Inventory Surveys

# 2019 and 2022 Twin Cities Travel Behavior Inventory Surveys To help local and regional planning agencies understand shifting demographics and travel patterns, surveys were conducted in Minnesota’s greater Twin Cities region in 2019 and 2022. Survey results aided the Metropolitan Council in proposing practical transportation investments, preparing competitive grant applications, and prioritizing improvements to best fit regional needs. ## Data Collection Agency RSG conducted the surveys for the Metropolitan Council. ## Survey Methodology These mixed-mode surveys focused on bus, rail, car, micromobility, ride-hailing, and walking. Designed as household travel surveys, they were carried out in English, Spanish, Karen, Oromo, Somali, and Hmong during two timeframes: Oct. 1, 2018—Sept. 30, 2019 and June 22, 2021—Feb. 5, 2022. Participants accessed the surveys using a smartphone-based app, website, or call center. A questionnaire captured data about demographics, daily travel activities, and typical transportation patterns to inform model updates and gain information about emerging behavioral changes such as electric vehicle adoption and teleworking frequency. It also addressed the impacts of COVID-19 on participants’ typical travel behavior. ## Survey Records, Data, and Documentation Survey records include a total of 31,251 participants—16,152 participants from 7,837 households during the 2019 survey and 15,099 participants from 7,952 households during the 2022 survey.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

2019 and 2022 Twin Cities Travel Behavior Inventory Surveys

# 2019 and 2022 Twin Cities Travel Behavior Inventory Surveys To help local and regional planning agencies understand shifting demographics and travel patterns, surveys were conducted in Minnesota’s greater Twin Cities region in 2019 and 2022. Survey results aided the Metropolitan Council in proposing practical transportation investments, preparing competitive grant applications, and prioritizing improvements to best fit regional needs. ## Data Collection Agency RSG conducted the surveys for the Metropolitan Council. ## Survey Methodology These mixed-mode surveys focused on bus, rail, car, micromobility, ride-hailing, and walking. Designed as household travel surveys, they were carried out in English, Spanish, Karen, Oromo, Somali, and Hmong during two timeframes: Oct. 1, 2018—Sept. 30, 2019 and June 22, 2021—Feb. 5, 2022. Participants accessed the surveys using a smartphone-based app, website, or call center. A questionnaire captured data about demographics, daily travel activities, and typical transportation patterns to inform model updates and gain information about emerging behavioral changes such as electric vehicle adoption and teleworking frequency. It also addressed the impacts of COVID-19 on participants’ typical travel behavior. ## Survey Records, Data, and Documentation Survey records include a total of 31,251 participants—16,152 participants from 7,837 households during the 2019 survey and 15,099 participants from 7,952 households during the 2022 survey.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

2019 and 2022 Twin Cities Travel Behavior Inventory Surveys

# 2019 and 2022 Twin Cities Travel Behavior Inventory Surveys To help local and regional planning agencies understand shifting demographics and travel patterns, surveys were conducted in Minnesota’s greater Twin Cities region in 2019 and 2022. Survey results aided the Metropolitan Council in proposing practical transportation investments, preparing competitive grant applications, and prioritizing improvements to best fit regional needs. ## Data Collection Agency RSG conducted the surveys for the Metropolitan Council. ## Survey Methodology These mixed-mode surveys focused on bus, rail, car, micromobility, ride-hailing, and walking. Designed as household travel surveys, they were carried out in English, Spanish, Karen, Oromo, Somali, and Hmong during two timeframes: Oct. 1, 2018—Sept. 30, 2019 and June 22, 2021—Feb. 5, 2022. Participants accessed the surveys using a smartphone-based app, website, or call center. A questionnaire captured data about demographics, daily travel activities, and typical transportation patterns to inform model updates and gain information about emerging behavioral changes such as electric vehicle adoption and teleworking frequency. It also addressed the impacts of COVID-19 on participants’ typical travel behavior. ## Survey Records, Data, and Documentation Survey records include a total of 31,251 participants—16,152 participants from 7,837 households during the 2019 survey and 15,099 participants from 7,952 households during the 2022 survey.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

2019 and 2022 Twin Cities Travel Behavior Inventory Surveys

# 2019 and 2022 Twin Cities Travel Behavior Inventory Surveys To help local and regional planning agencies understand shifting demographics and travel patterns, surveys were conducted in Minnesota’s greater Twin Cities region in 2019 and 2022. Survey results aided the Metropolitan Council in proposing practical transportation investments, preparing competitive grant applications, and prioritizing improvements to best fit regional needs. ## Data Collection Agency RSG conducted the surveys for the Metropolitan Council. ## Survey Methodology These mixed-mode surveys focused on bus, rail, car, micromobility, ride-hailing, and walking. Designed as household travel surveys, they were carried out in English, Spanish, Karen, Oromo, Somali, and Hmong during two timeframes: Oct. 1, 2018—Sept. 30, 2019 and June 22, 2021—Feb. 5, 2022. Participants accessed the surveys using a smartphone-based app, website, or call center. A questionnaire captured data about demographics, daily travel activities, and typical transportation patterns to inform model updates and gain information about emerging behavioral changes such as electric vehicle adoption and teleworking frequency. It also addressed the impacts of COVID-19 on participants’ typical travel behavior. ## Survey Records, Data, and Documentation Survey records include a total of 31,251 participants—16,152 participants from 7,837 households during the 2019 survey and 15,099 participants from 7,952 households during the 2022 survey.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI