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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Application of Artificial Neural Network Model for Optimized Control of Condenser Water Temperature Set-Point in a Chilled Water System

Here, in this study, real-time predictive control and optimization model based on an ANN (artificial neural network) was developed to evaluate the cooling energy saving performance of the optimized control of CndWT (condenser water temperature). For this purpose, the difference in TCEC (total cooling energy consumption) between the conventional control strategy when the CndWT produced by the cooling tower is fixed and the optimized control strategy when real-time control of the CndWT through the optimal ANN model is applied was compared and analyzed. For the modeling of the building to be simulated, the co-simulation of EnergyPlus and MATLAB was built through the middleware Building Controls Virtual Test Bed. For the prediction of TCEC, an ANN model was developed through MATLAB's neural network toolbox. The model accuracy of the ANN was examined through Cv(RMSE) index and as a result, Cv(RMSE) of the optimized ANN model turned out to be approximately 25 %. More importantly, the predictive control technique was able to save TCEC by 5.6 % compared to the conventional control method constantly fixing CndWT set-point to 30 °C. These results showed that the CndWT needs to be dynamically controlled using artificial intelligence technique such as ANN model and that significant energy savings were achievable compared to the conventional fixed control.

42 ENGINEERING↗
DOE OSTI2023

Empirical validation of building energy simulation model input parameter for multizone commercial building during the cooling season

This paper presents a critical advancement in Building Energy Modeling (BEM) through an empirical validation approach using a high-quality dataset from a multizone commercial office building in Oak Ridge, TN, USA. BEM is widely utilized in diverse construction applications, but its effectiveness relies on the accuracy of its predictions. The study focuses on empirical validation of input parameters in BEM, including building envelope data, infiltration modeling, and rooftop unit system performance curves. The validation of simulation input parameters leads to substantial improvements in the accuracy of simulation results. Notable both NMBE and cv (RMSE) values are reduced by 0.5 % for indoor air temperature and 17 % for indoor air relative humidity compared to the previous model. At the system level, both NMBE and cv (RMSE) values are reduced by 2 % for fan energy consumption and 4 % for cooling energy consumption, compared to the previous model. A literature review highlights a significant gap in empirical validation studies, which predominantly concentrate on either component-level or whole building validation. Furthermore, many studies employ simplified setups that may not faithfully represent the complexities of multizone commercial buildings. This paper distinguishes itself by emphasizing the critical importance of component-level input parameter validation. It underlines the need to validate data related to building envelope components and HVAC system performance curves, resulting in more accurate simulation outcomes. In conclusion, the utilization of actual multizone commercial building data enhances the study's practical relevance. In summary, this research underscores the pivotal role of input parameter validation in enhancing the accuracy and reliability of BEM.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Latent heat thermal energy storage performance maps enabling fast & accurate building energy simulations

Thermal energy storage (TES) using phase change materials (PCMs) has gained attention as an effective approach to manage energy demand fluctuations and shift peak building loads. PCM embedded heat exchangers (PCM-HXs) offer high energy storage density and low temperature variation during phase change, being suitable for load-shifting applications. However, this component is typically evaluated using computationally expensive methods, which present significant challenges when the ultimate goal is to assess the performance of PCM-HX integrated thermal energy storage systems in the full building context. In this paper, we present a methodology to generate highly accurate and computationally efficient PCM-HX performance maps which can be easily integrated into building energy simulation tools to analyze the feasibility of space conditioning systems with latent heat PCM-based TES. The performance maps are generated using a computationally efficient PCM-HX simulation tool based on a Generalized Resistance-Capacitance Model (GRCM) which can simulate arbitrary PCM-HXs with high accuracy and significantly less computational effort compared to full CFD simulations. The methodology was verified for a case study considering a 5-ton (~17.5 kW) air-to-water heat pump-thermal energy storage system (HP-TES), which was co-simulated in Modelica for a DOE prototype small-office building in Vienna, Austria, using Spawn of EnergyPlus™. The TES performance maps provided accurate predictions of PCM-HX behavior when used as Modelica component, with deviations within 2-4% while also achieving at least 103 computational time reduction. Leveraging this faster prediction capability, four PCMs with different melting temperatures for cooling (12°C, 16°C) and heating (31°C, 36°C) were assessed to investigate their impact on system performance. This work highlights the importance of robust PCM-HX models for efficient and high-fidelity building-level simulations, presenting new opportunities for advanced control strategy development and parametric analysis of TES configurations in a computationally efficient manner

Modelica Building Simulations↗
DOE OSTI2020

Towards Trust-Augmented Visual Analytics for Data-Driven Energy Modeling

The promise of data-driven predictive modeling is being increasingly realized in various science and engineering disciplines, where experts are used to the more conventional, simulation-driven modeling practices. However, trust remains a bottleneck for greater adoption of machine learning-based models for domain experts, who might not be necessarily trained in data science. In this paper, we focus on the building energy domain, where physics-based simulations are being complemented or replaced by machine learning-based methods for forecasting energy supply and demand at various spatio-temporal scales. We study the trust problem in close collaboration with energy scientists and engineers and describe how visual analytics can be leveraged for alleviating this trust bottleneck for stakeholders with varying degrees of expertise and analytics goals in this domain.

Kandakatla, Akshith R.↗
DOE OSTI2022

Production of β-ketoadipic acid from glucose in Pseudomonas putida KT2440 for use in performance-advantaged nylons

Biomass-derived chemicals can offer unique chemical functionality relative to petroleum-derived building blocks. To this end, here we report that β-ketoadipic acid (βKA), a C6 diacid with a β-ketone group, can be used as a performance-advantaged replacement for adipic acid in a nylon-6,6 analog. Building on our previous efforts to produce shikimate-derived products from carbohydrates, Pseudomonas putida KT2440 is engineered to produce βKA from glucose, achieving a 26 g/L titer. Following purification, βKA imparts an increase of 69 degrees C above the nylon-6,6 glass transition temperature and 20% reduced water permeability, equivalent to nylon-6,10. Molecular simulations predict that the enhanced thermal properties result from rigidity introduced by the β-ketone. Process analysis predicts that βKA can be produced for US$1.94/kg from sugars, requiring 63% less energy and emitting 43% less greenhouse gases than fossil-based adipic acid. Overall, this study illustrates the potential for βKA to serve as a useful building block for bio-based polymers.

09 BIOMASS FUELS↗
DOE OSTI2025

Leveraging AI and Spatial Data to Unlock Pipeline Integrity Insights: NETL’s Advanced Infrastructure Integrity Model (AIIM)

Maintaining the integrity of natural gas infrastructure plays a critical role in ensuring energy security. Robust, data-driven foundational AI models for pipeline integrity can help address risk management and mitigation issues. Trusted foundational models can help with industry adoption and accelerate innovation by enhancing integrity predictions, reduce costs, and informing infrastructure build-out. The AIIM dashboard was released in 2022 and utilizes multi-ML models for ensemble-type insights. It was expanded to include analytics on reported incidents. It was developed as an ESRI Dashboard to support data visualization & interrogation and contains pipeline data and model results.

Advanced Infrastructure Integrity Model (AIIM)↗
DOE OSTI2022

Transferability of data-driven, many-body models for CO 2 simulations in the vapor and liquid phases

Here, extending on the previous work by Riera et al. [J. Chem. Theory Comput. 16, 2246–2257 (2020)], we introduce a second generation family of data-driven many-body MB-nrg models for CO 2 and systematically assess how the strength and anisotropy of the CO 2 –CO 2 interactions affect the models’ ability to predict vapor, liquid, and vapor–liquid equilibrium properties. Building upon the many-body expansion formalism, we construct a series of MB-nrg models by fitting one-body and two-body reference energies calculated at the coupled cluster level of theory for large monomer and dimer training sets. Advancing from the first generation models, we employ the charge model 5 scheme to determine the atomic charges and systematically scale the two-body energies to obtain more accurate descriptions of vapor, liquid, and vapor–liquid equilibrium properties. Challenges in model construction arise due to the anisotropic nature and small magnitude of the interaction energies in CO 2 , calling for the necessity of highly accurate descriptions of the multidimensional energy landscape of liquid CO 2 . These findings emphasize the key role played by the training set quality in the development of transferable, data-driven models, which, accurately representing high-dimensional many-body effects, can enable predictive computer simulations of molecular fluids across the entire phase diagram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A Simulation Framework for Analyzing the Impact of Stochastic Occupant Behaviors on Demand Flexibility in Typical Commercial Buildings

As one of the primary users of the electric grid, buildings and building equipment, including heating, ventilation, and air conditioning (HVAC) systems, can be leveraged to provide the flexible demand needed to balance the grid. Typical strategies to achieve demand flexibility are to reduce electricity use during peak or critical periods by shutting down equipment or relaxing system setpoints, which will inevitably impact the occupants’ comfort. When occupants feel uncomfortable, they may take actions to regain their comfort, and some of those actions (such as turning on a personal fan) may have a negative impact on meeting the demand response goal. Therefore, it is important to incorporate occupant behaviors into the assessment ofthe building demand flexibility potential. In this study, a simulation framework that includes simulation of zone thermal loads, an HVAC system, and occupant behaviors, was developed to investigate the impact of occupant behaviors on demand flexibility. A case study was conducted using a small office model from the U.S. Department of Energy (DOE) Commercial Prototype Building Models to simulate the building envelope and zone loads. An agent-based occupant thermal behavior model was adapted to forecast occupants’ thermal comfort and their resulting thermal behaviors. An artificial neural network (ANN) based airflow model trained from a computational fluid dynamics (CFD) model of the zone was adopted to better predict the ambient environment of each occupant. An air-source heat pump simulation model that was calibrated from a real two-stage air-source heat pump system was used as the HVAC system. A typical load shedding event during peak hours was studied. Repeated simulations were conducted to capture the stochastic effects of occupant behaviors. The interplay between the demand flexibility, occupant comfort and behavior were analyzed by evaluating key performance indicators, including the energy use, occupant discomfort duration, and occupant behavior duration during the peak period. The results suggest that this framework can be used to analyze typical commercial buildings and their HVAC systems in terms ofdemand flexibility potential under the impact of occupant behaviors.

Chen, Zhelun↗
DOE OSTI2023

Assessing the Impact of Cybersecurity Attacks on Energy Systems

This paper investigates the cyber resiliency of future power systems with high penetration of distributed energy resources using advanced distributed and (or) hierarchical control architectures. Specifically, we simulate cyberattacks on three prototypical use cases, and we identify attack scenarios that are the most damaging to the overall system performance. We show that these attacks can have a significant impact on grid operation. Results provide additional insights into the robustness of the system to the most common cyberattacks.

buildings↗
DOE OSTI2025

Validation and moisture content sensitivity analysis of cross-laminated timber wall assemblies in EnergyPlus

Cross-laminated timber buildings are becoming more common in North America, with many numerical studies showing potential energy savings. However, no studies have validated any EnergyPlus heat transfer algorithms or quantified their accuracy in simulating CLT in building envelopes. This study empirically validates the heat flux predictions for each of EnergyPlus's heat transfer algorithms (Conduction Transfer Functions (CTF), Effective Moisture Penetration Depth (EMPD), Conduction Finite Difference (CondFD), and Heat and Moisture Transfer (HAMT)) for two different CLT ply thicknesses with both summer and winter boundary conditions measured in controlled lab experiments. It also evaluates the model sensitivity of heat flux and heating and cooling loads to moisture content. The 1D validation shows that the HAMT model is the most accurate among all algorithms. All EnergyPlus's heat flux predictions are accurate independent of CLT plate thickness for summer conditions. However, the three constant property algorithms (CTF, EMPD, and CondFD) underpredict heat flux throughout the whole day during winter conditions. The 1D sensitivity analysis indicates that elevated moisture content can increase peak heat fluxes through the material by up to 20 %. Finally, the whole building model sensitivity analysis shows increased heating load and slight cooling load variation due to increased moisture content when using constant property models. The analysis shows significantly lower peak thermal demand (7 % lower heating and 6 % lower cooling) and monthly thermal load (8 % less cooling and 6 % less heating) predictions when using HAMT vs a constant property model.

42 ENGINEERING↗
DOE OSTI2022

Improved scaling law for the prediction of deuterium retention in beryllium co-deposits

Hydrogen isotope co-deposition with Be eroded from the first wall is expected to be the main fusion fuel retention mechanism in ITER. Since good fuel accounting is crucial for economic and safety reasons, reliable predictions of hydrogen isotope retention are needed. Furthermore, this study builds upon the well-established empirical De Temmerman scaling law that predicts D/Be ratios in co-deposited layers based on deposition temperature, deposition rate, and deuterium particle energy. Expanding the data used in the original development of the scaling law with an additional dataset obtained with more recent measurements using a different technique to the original De Temmerman approach, allows us to obtain new values for free parameters and improve the prediction capabilities of the new scaling law. In an effort to improve the model even further, scaling with D 2 background pressure was included and a new two-term model derived, describing D retention in low- and high-energy traps separately.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

IBPSA Project 2 BOPTEST: An update on the test cases available in the framework for testing advanced control strategies in buildings

Project 2 develops software infrastructure, test cases, and extensions for the Building Optimization Testing Framework (BOPTEST) to address the expanding needs of building and urban energy system controls through open international collaboration. This paper provides an overview of the new test cases available as of BOPTEST version 0.7.1. Each test case is developed using open-source Modelica libraries and Spawn of EnergyPlus, enabling the creation of high-fidelity building models that incorporate envelope dynamics, Heating Ventilation and Air Conditioning (HVAC) systems, and explicit control representations. Currently, eight test cases are available, with five additional cases under development. These test cases cover a wide range of climates, building types, and HVAC systems. This paper compiles and summarizes test case descriptions, cites original manuscripts that developed them for a more detailed description, and reports baseline control performance metrics. Furthermore, two example applications are presented: one illustrating different levels of control, from supervisory to low-level, and another demonstrating how Model Predictive Control (MPC) solutions must be adapted from continuous to integer to control some building actuators.

Zanetti, Ettore↗
DOE OSTI2020

Multizone Residential HVAC Modeling

This report will evaluate several building physics modeling tools to determine which are best suited for developing next-generation zoning technology. These modeling tools will be evaluated for their ability to predict room-level thermal loads, HVAC system operation, temperature and comfort predictions, and scalability. Any gaps in the existing tools will be identified and a path forward will be discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Multimodal sensor fusion framework for residential building occupancy detection

For several years now, smart building energy systems have been a research area of intensive activity. In light of the increasing need for sustainable buildings and energy systems, this trend motivates an increasing need for a solution to reduce carbon dioxide emissions and improve energy efficiency. This work proposes a high-performing and transferable occupancy detection framework that combines sensor data from different data modalities, including time series environmental data (temperature, humidity, and illuminance), image data, and acoustic energy data using ensemble method. To draw out the best prediction performance in each modality, the proposed framework was developed, including various models that were designed to learn the occupancy patterns reflected in the physical data streams. To tackle the time series environmental data, we designed two variants of an occupancy detection spatiotemporal pattern network (Occ-STPN) that performs both feature level and decision level fusion, respectively. We also propose a new metric; the fading memory mean square error (FMMSE), that provides a fair evaluation and penalization of delayed occupancy predictions. Multiple open-sourced datasets, including the Electricity Consumption and Occupancy and the University of California, Irvine's (UCI) building occupancy detection dataset, along with our own real data collected from six different houses, were used to validate the algorithms' performance. The experimental results presented herein break down the performance for each sensing modality, and a detailed analysis of the performance is also discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

A Machine Learning-Assisted Framework to Control Thermally Anisotropic Building Envelopes in Residential Buildings

To curb the energy consumption of buildings and their related CO2 emissions, Oak Ridge National Laboratory (ORNL) has developed the thermally anisotropic building envelope (TABE) —a multi-layer design comprising insulation materials and metal foils connected to thermal loops. In this study, a machine learning-assisted framework was developed to control the TABE in residential buildings to reduce the computation load for future optimal rule-based control and application. First, a 2D finite element model was established in COMSOL to calculate the hourly heat flux through exterior walls installed with the TABE. Then, TABE wall heat fluxes were simulated for various given indoor and outdoor boundary conditions, as well as thermal loops fluid temperatures and flow rates. Since the finite element simulations are computationally expensive, an artificial neural network (ANN) was then trained to use as a proxy of the finite element (COMSOL) modeling. Finally, the trained ANN model was coupled with the EnergyPlus model to predict the energy consumption of a US Department of Energy prototype single-family house installed with the TABE. An optimal simple rule-based control was determined from predefined rules for a case study. The results demonstrate that the developed machine learning–assisted framework can reduce 99.9% of the computation time while efficiently managing residential building energy for installed TABE walls.

Shen, Zhenglai↗
DOE OSTI2021

Integration of theory and experiment in the modelling of heterogeneous electrocatalysis.

Theoretical modelling is essential to deepen our understanding of heterogeneous electrocatalytic energy conversion processes, such as water splitting. Here, Sharon Hammes-Schiffer and Giulia Galli offer their perspectives on the best strategies for successfully studying such systems. Heterogeneous electrocatalysis is critical to many energy conversion processes. Theoretical and computational approaches are essential to interpret experimental data and provide the mechanistic understanding necessary to design more effective catalysts. However, automated general procedures to build predictive theoretical and computational frameworks are not readily available; specific choices must be made in terms of the atomistic structural model and the level of theory, as well as the experimental data used to inform and validate these choices. Here we outline some best practices for modelling heterogeneous systems and present examples in the context of catalysis at metal electrodes and oxides. The level of theory should be chosen for the specific system and properties of interest, and experimental validation is essential from the beginning to the end of the study. Continuous feedback and ultimate integration between experiment and theory enhances the power of calculations to elucidate mechanisms, identify effective descriptors and clarify design principles.

Hammes-Schiffer, Sharon↗
DOE OSTI2022

SOMAS: a platform for data-driven material discovery in redox flow battery development

Abstract Aqueous organic redox flow batteries offer an environmentally benign, tunable, and safe route to large-scale energy storage. The energy density is one of the key performance parameters of organic redox flow batteries, which critically depends on the solubility of the redox-active molecule in water. Prediction of aqueous solubility remains a challenge in chemistry. Recently, machine learning models have been developed for molecular properties prediction in chemistry and material science. The fidelity of a machine learning model critically depends on the diversity, accuracy, and abundancy of the training datasets. We build a comprehensive open access organic molecular database “Solubility of Organic Molecules in Aqueous Solution” (SOMAS) containing about 12,000 molecules that covers wider chemical and solubility regimes suitable for aqueous organic redox flow battery development efforts. In addition to experimental solubility, we also provide eight distinctive quantum descriptors including optimized geometry derived from high-throughput density functional theory calculations along with six molecular descriptors for each molecule. SOMAS builds a critical foundation for future efforts in artificial intelligence-based solubility prediction models.

25 ENERGY STORAGE↗
DOE OSTI2023

Dilated causal convolutional neural networks for forecasting zone airflow to estimate short-term energy consumption

Here this paper investigates the use of dilated causal convolutional neural networks for fine- grained temporal forecasting of building zone states. Specifically, we build and evaluate models using a small set of exogenous features (e.g., external temperature) to autoregressively predict zone airflow setpoints every minute for a 24-hour prediction window. We carefully explore the trade-off between generality and specificity in these models, training and evaluating them based on zone, zone type, month, season, and combinations thereof. When evaluated for a commercial office building in Eastern Washington with 16 zones served by variable air volume air handling units, we find that the highest performance comes from a zone-specific, season-agnostic approach; with it, we obtain an R 2 of 0.704 (averaged over zones) and an average normalized root mean square error (nRMSE) of 0.111. In contrast, the most general model (trained across all zones and seasons) yields an R 2 of only 0.416 and a nRMSE of 0.168, while a baseline zone-specific reduced order model obtains 0.443 R 2 and 0.159 nRMSE. We also report on factors affecting airflow forecasting performance, on the ability of models trained on a specific zone to generalize to other zones, and on the capability of those models trained on a specific month to generalize to other months.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗