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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 361 records · Page 20

Distributed Embedded Energy Converter Technologies (DEEC-Tec)

Distributed Embedded Energy Converter Technologies (also known as DEEC-Tec) is based upon the amalgamation and combining of numerous, relatively small, distributed embedded energy converters (DEECs) that, in aggregate, can form a larger overall energy harvesting-converting structure. Such DEEC-Tec based structures can be employed to harvest and convert marine renewable energy - e.g., ocean waves - into more desirable forms such as electricity. In this way, the DEEC-Tec hierarchy can be viewed via three different technology levels: (1) individual distributed embedded energy converters, (2) DEEC-Tec metamaterials (pseudo-materials made from the interconnection of many DEECs), and (3) DEEC-Tec-based marine energy converters built from DEEC-Tec metamaterials.

BFSF↗

MPC solution for optimal load shifting for buildings with ON/OFF staged packaged units: Experimental demonstration, and lessons learned

Small and medium-sized commercial buildings (SMCB) are significant demand response resources, and it is important to develop grid-responsive control algorithms that exploit those resources and create financial benefits for building owners and HVAC service providers. Furthermore, unlike large-sized commercial buildings, there is an opportunity to have universally applicable control solutions for many SMCBs since those buildings have a consistent HVAC system configuration: SMCBs are commonly served by multiple-staged air conditioning units controlled by their own thermostats. Despite the demand response potential and scalability, however, very few control solutions are available for SMCBs. Typical model predictive control (MPC) and heuristic control approaches for cooling load shifting that lower thermostat setpoints before an electric price jump are suitable mainly for large-sized commercial buildings where a continuous capacity modulation is possible, e.g., via dampers in variable air volume terminal units. However, those approaches can cause undesired, high peaks for SMCBs due to the nature of ON/OFF unit staging and narrow thermostat deadbands. This could discourage the use of advanced grid-responsive controls for SMCBs due to the concern of high demand charges, and has to be resolved. This paper presents a MPC solution that overcomes this challenge. It has a hierarchical MPC structure where an upper level MPC is responsible for electrical load shifting in response to an electric price signal while a lower level MPC is responsible for coordinating compressor stages to eliminate unnecessary peaks and follows the setpoints determined by the upper level MPC. In this work, two one-month, comprehensive laboratory tests have been carried out to demonstrate load shifting and cost savings for the algorithm. Interesting trade-offs between energy efficiency and load flexibility were observed and are discussed, and lessons learned for applying MPCs for SMCBs are also presented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Open Building Control

Best practice control sequences are often not implemented correctly, or are not implemented at all, in large commercial buildings. This typically leads to 10-30 percent energy waste, along with reduced occupant productivity and unnecessary equipment wear. The current process of designing and implementing such control sequences is a manual process that starts with designers who often don’t have adequate training, then requires controls programmers to interpret and program a verbose written sequence. This process has been shown to fail to deliver high performance control sequences at scale. The Open Building Control project digitizes the current control delivery process. The project is developing tools for system designers to select control sequences, assess their energy performance and load flexibility potential using whole building simulation, specify the sequence for implementation using machine-to-machine translation by a control provider and formally testing the as-installed sequences by a commissioning agent. The project developed tools for each stage of this delivery process. The key innovation of the project is the development of the Control Description Language, a language that allows such a digitized control delivery process with end-to-end verification. Libraries of control sequences have been implemented using the Control Description Language, and their performance has been demonstrated using whole building energy simulation. An automated translation of such sequences to a commercial control product line has been conducted using a prototype translator. Tools for formal verification of as-installed control sequences relative to their specification have been developed and demonstrated. The American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) started the process of forming a committee to make this language an ASHRAE/ANSI Standard. This new standard will complement existing and emerging ASHRAE standards for building communication and semantic modeling by providing a standard for expressing the control logic - the actual brain of the building. We expect this language and the process it enables to be an important contribution to the deployment of high performance building control sequences at scale because it allows taming the complexity of the control delivery process, which is continually increasing due to the need for higher performance and increased load flexibility to meet goals for net zero energy and increased renewable integration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Silver nanowire-indium zinc oxide composite flexible transparent conducting electrodes made by spin-coating and photonic curing

Flexible transparent conducting electrodes (TCE) play a critical role in modern technologies. Eliminating the high-temperature annealing of vacuum- or solution-deposited films will increase production throughput and lower the cost of the final products. Photonic curing uses intense pulses of broadband light to induce material transformations instead of heat. In this work, we combine solution deposition and photonic curing, replacing thermal annealing, to fabricate flexible composite TCE films on plastic polyethylene terephthalate (PET) substrates. The composite TCE films are composed of spin-coated silver nanowire-indium zinc oxide layers. Further, the TCE films’ electrical, optical, and morphological properties are investigated and compared to those of commercially available PET/TCE. A sheet resistance of 15 Ω/sq and an average transmittance from 400 – 700 nm of 77% are achieved with the spin-coated and photonic-cured composite flexible TCE films.

14 SOLAR ENERGY↗

Grid-Scale Ternary-Pumped Thermal Electricity Storage for Flexible Operation of Nuclear Power Generation under High Penetration of Renewable Energy Sources

In this work, the integration of a grid-scale ternary-Pumped Thermal Electricity Storage (t-PTES) with a nuclear power generation to enhance operation flexibility is assessed using physics-based models and digital real time simulation. A part of the electricity from the nuclear power generation is delivered to the grid, and the balance is used to power a heat pump that can be augmented by an auxiliary resistive load element to increase the charging rate of the thermal storage. This increases the thermal potential between hot and cold thermal stores (usually solid materials or molten salts inside large storage tanks). The thermal energy is transformed back into electricity by reversing the heat pump cycle. Different transient scenarios including startup, shutdown, and power change for grid-connected operation are simulated to determine the behavior of the hybrid nuclear-t-PTES system operating under variable loads that constitute a departure from conventional, baseload nuclear plant operation schemes. Ternary refers to the three modes operation: (i) heat pump (including heating coil), (ii) heat engine, and (iii) simultaneous operation of heat pump (including heating coil) and heat engine during changeover from pumping to generation or vice-versa. The controllability of t-PTES in the short timescales as a dynamic load is used to demonstrate operational flexibility of hybrid nuclear plants for flexible operation through advanced load management. The integration of t-PTES into nuclear power systems enhances the system flexibility and is an enabler for high penetration of renewable energy resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Solar Potential Analysis for the MISO Region

As part of the Minnesota Solar Pathways project, funded in part by the Department of Energy’s Solar Energy Technologies Office, Clean Power Research completed a scenario-based analysis that estimates and optimizes the levelized cost of capacity for high renewables penetrations across the entirety of the Midcontinent Independent System Operator (MISO) region. The analysis concludes that it can be cheaper to overbuild solar + wind and curtail surplus than to store all generation. The analysis described in this report was preceded by an analysis completed in 2018 that used the same modeling framework to optimize generation resources located only in Minnesota.

14 SOLAR ENERGY↗

Discovery of Energy Storage Molecular Materials Using Quantum Chemistry-Guided Multiobjective Bayesian Optimization

Redox flow batteries (RFBs) are a promising technology for stationary energy storage applications due to their flexible design, scalability, and low cost. In RFBs, energy is carried in flowable redoxactive materials (redoxmers) which are stored externally and pumped to the cell during operation. Further improvements in the energy density of RFBs necessitates redoxmer designs with wider redox potential windows and higher solubility. Additionally, designing redoxmers with a fluorescence-enabled self-reporting functionality allows monitoring of the state of health of RFBs. To accelerate the discovery of redoxmers with desired properties, state-of-the- art machine learning ( ML) methods, such as multiobjective Bayesian optimization (MBO), are useful. Here, we first employed density functional theory calculations to generate a database of reduction potentials, solvation free energies, and absorption wavelengths for 1400 redoxmer molecules based on a 2,1,3-benzothiadiazole (BzNSN) core structure. From the computed properties, we identified 22 Pareto-optimal molecules that represent best trade-off among all of the desired properties. We further utilized these data to develop and benchmark an MBO approach to identify candidates quickly and efficiently with multiple targeted properties. With MBO, optimal candidates from the 1400-molecule data set can be identified at least 15 times more efficiently compared to the brute force or random selection approach. Importantly, we utilized this approach for discovering promising redoxmers from an unseen database of 1 million BzNSN-based molecules, where we discovered 16 new Pareto-optimal molecules with significant improvements in properties over the initial 1400 molecules. Furthermore, we anticipate that this active learning technique is general and can be utilized for the discovery of any class of functional materials that satisfies multiple desired property criteria.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗

Predicting and Understanding Non-Covalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory

Although sometimes derided as “weak” interactions, non-covalent forces play a critical role in ligand binding and crystal packing and in determining the conformational landscape of flexible molecules. Symmetry-adapted perturbation theory (SAPT) provides a framework for accurate ab initio calculation of intermolecular interactions and furnishes a natural decomposition of the interaction energy into physically meaningful components: semiclassical electrostatics (rigorously obtained from monomer charge densities), Pauli or steric repulsion, induction (including both polarization and charge transfer), and dispersion. This decomposition helps to foster deeper understanding of non-covalent interactions and can be used to construct transferable, physics-based force fields. Separability of the SAPT interaction energy also provides the flexibility to construct composite methods, a feature that we exploit to improve the description of dispersion interactions. Furthermore, these are challenging to describe accurately because they arise from nonlocal electron correlation effects that appear for the first time at second order in perturbation theory but are not quantitatively described at that level.

74 ATOMIC AND MOLECULAR PHYSICS↗

Tuning bandgap and energy stability of Organic-Inorganic halide perovskites through surface engineering

Organohalide perovskite with a variety of surface structures and morphologies have shown promising potential owing to the choice of the type of heterostructure dependent stability. We systematically investigate and discuss the impact of 2-dimensional molybdenum-disulphide (MoS 2 ), molybdenum-diselenide (MoSe 2 ), tungsten-disulphide (WS 2 ), tungsten-diselenide (WSe 2 ), boron-nitiride (BN) and graphene monolayers on bandgap and energy stability of organic–inorganic halide perovskites. We found that MAPbI 3 deposited on BN-ML shows room temperature stability (-25 meV ~ 300 K) with an optimal bandgap of ~ 1.68 eV. The calculated absorption coefficient also lies in the visible-light range with a maximum of 4.9 × 10 4 cm –1 achieved at 2.8 eV photon energy. Furthermore, on the basis of our calculations, we suggest that the encapsulation of an organic–inorganic halide perovskite monolayers by semiconducting monolayers potentially provides greater flexibility for tuning the energy stability and the bandgap.

36 MATERIALS SCIENCE↗

Rapid and Energy‐Efficient Synthesis of Disordered Rocksalt Cathodes

Abstract Lithium‐rich transition metal oxides with a cation‐disordered rocksalt structure (disordered rocksalt oxides or DRX) are promising candidates for sustainable, next‐generation Li‐ion cathodes due to their high energy densities and compositional flexibility, enabling Co‐ and Ni‐free battery chemistries. However, current methods to synthesize DRX compounds require either high temperature (≈1000 °C) sintering for several hours, or high energy ball milling for several days in an inert atmosphere. Both methods are time‐ and energy‐intensive, limiting the scale up of DRX production. The present study reports the rapid synthesis of various DRX compositions in ambient air via a microwave‐assisted solid‐state technique resulting in reaction times as short as 5 min, which are more than two orders of magnitude faster than current synthesis methods. The DRX compounds synthesized via microwave are phase‐pure and have a similar short‐ and long‐range structure as compared to DRX materials synthesized via a standard solid‐state route, resulting in nearly identical electrochemical performance. In some cases, microwave heating allows for better particle size and morphology control. Overall, the rapid and energy‐efficient microwave technique provides a more sustainable route to produce DRX materials, further incentivizes the development of next‐generation DRX cathodes, and is key to accelerating their optimization via high‐throughput studies.

25 ENERGY STORAGE↗

End-Use Savings Shapes Measure Documentation: LED Lighting

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock and ComStock models over the past three years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a timeseries profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each timestep. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on a single end-use savings shape measure - LED lighting. The LED lighting measure replaces interior lights with LEDs where applicable. The measure resulted in 1.25 TBtu energy savings across the building stock, with the majority of savings occurring in retail and warehouse buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

End-Use Savings Shapes Measure Documentation: Boiler Replacement with Air-Source Heat Pump Boiler and Electric Boiler Backup

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock TM and ComStock TM models over the past three years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each timestep. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual sub hourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on a single end-use savings shape measure—boiler replacement by air-source heat pump boiler. This measure replaces space heating natural gas boilers by air-source heat pump boilers when applicable and helps quantify the decarbonization as well as the energy savings potential from the replacement. The measure resulted higher savings in natural gas consumption compared to the increase in electricity consumption, with a ratio of 2.9. The total natural gas energy consumption was reduced by 20%, whereas the total electricity consumption was increased by 2.5%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

End-Use Savings Shapes Measure Documentation: Boiler Replacement with Air-Source Heat Pump Boiler and Natural Gas Boiler Backup

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock (™) and ComStock (™) models over the past three years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each timestep. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on a single end-use savings shape measure - boiler replacement with air-source heat pump boiler with natural gas boiler backup. This measure replaces natural gas boilers for HVAC application by air-source heat pump boilers when applicable and use natural gas boiler backup when the heat pump boiler could not operate due to outdoor air conditions which are below its cutoff temperature. This measure helps to quantify the decarbonization as well as the energy savings potential from the replacement. The measure resulted higher savings in natural gas consumption compared to the increase in electricity consumption, with a ratio of 3. The total natural gas energy consumption was reduced by 41%, whereas the total electricity consumption was increased by 5.3%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

End-Use Savings Shapes Measure Documentation: Variable Refrigerant Flow with Heat Recovery and Dedicated Outdoor Air System

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock™ and ComStock™ models over the past 3 years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each time step. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on a single heating, ventilation, and air-conditioning (HVAC) end-use savings shape measure - a variable refrigerant flow with heat recovery (VRF HR) heating and cooling system coupled with a dedicated outdoor air system (DOAS) for ventilation. This measure replaces existing multi-zone variable air volume (VAV) systems or single-zone rooftop units (RTU) with a VRF HR system coupled with a DOAS that includes an energy/heat recovery ventilator (E/HRV). The measure covers 53% of exisiting building stock's floor area and is not applicable to HVAC system types using district heating or cooling or buildings/spaces that include high-ventilation spaces such as kitchens where the amount of exhaust air is large. A DOAS with E/HRV is used to provide required outdoor ventilation air to spaces since ventilation air is generally not supplied by a VRF HR system. An exhaust air energy recovery ventilator (ERV ) with sensible and latent heat exchange is added to humid climate zones while a heat recovery ventilator (HRV ) with sensible only exchange is added to drier climate zones. The ERV is modeled as a fixed membrane plate counterflow heat exchanger, while the HRV is modeled as a sensible-only fixed aluminum plate counterflow heat exchanger. Both systems include a bypass (for temperature control and economizer lockout) and minimum exhaust temperature control for frost prevention.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

End-Use Savings Shapes Measure Documentation: Economizers

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock™ and ComStock™ models over the past 3 years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each time step. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Air quality and comfort constrained energy efficient operation of multi-zone buildings

Maintaining indoor air quality (IAQ) through effective ventilation is essential for the well-being and productivity of building occupants. Control strategies aimed at improving the efficiency of heating, ventilation and air conditioning (HVAC) systems must jointly determine ventilation and heating and cooling processes. Here, in this paper, we study the problem of minimizing the energy consumption of the HVAC system in a multi-zone building, while meeting thermal comfort and IAQ requirements. We first perform a steady state analysis of the zonal carbon dioxide (CO 2 ) concentration and the temperature dynamics. The resulting expressions are convex in the zonal mass flow rates and zonal temperatures. Guided by the steady state solutions for meeting the thermal comfort constraints, we develop two control policies for improving the energy efficiency of building HVAC systems while jointly satisfying indoor temperature and IAQ constraints. We compare the performance of our proposed approaches with those of multiple baseline approaches which implement separate regimes for controlling zonal temperature and IAQ for a typical work-day in a multi-zone campus building. We have evaluated the performance of our proposed approaches under varying levels of flexibility in zonal temperatures. We have shown that zonal temperature flexibility can result in energy savings up to 32% (for the same control strategies) as compared to the case where no such flexibility is permitted. Our proposed approaches were seen to offer potential savings of nearly 29% compared to the baseline.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗