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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dihydroxyterephthalate—A Trojan Horse PET Counit for Facile Chemical Recycling

Abstract Here, low‐energy poly(ethylene terephthalate) (PET) chemical recycling in water: PET copolymers with diethyl 2,5‐dihydroxyterephthalate (DHTE) undergo selective hydrolysis at DHTE sites, autocatalyzed by neighboring group participation, is demonstrated. Liberated oligomeric subchains further hydrolyze until only small molecules remain. Poly(ethylene terephthalate‐ stat ‐2,5‐dihydroxyterephthalate) copolymers were synthesized via melt polycondensation and then hydrolyzed in 150–200 °C water with 0–1 wt% ZnCl 2 , or alternatively in simulated sea water. Degradation progress follows pseudo‐first order kinetics. With increasing DHTE loading, the rate constant increases monotonically while the thermal activation barrier decreases. The depolymerization products are ethylene glycol, terephthalic acid, 2,5‐dihydroxyterephthalic acid, and bis(2‐hydroxyethyl) terephthalate dimer, which could be used to regenerate virgin polymer. Composition‐optimized copolymers show a decrease of nearly 50% in the Arrhenius activation energy, suggesting a 6‐order reduction in depolymerization time under ambient conditions compared to that of PET homopolymer. This study provides new insight to the design of polymers for end‐of‐life while maintaining key properties like service temperature and mechanical properties. Moreover, this chemical recycling procedure is more environmentally friendly compared to traditional approaches since water is the only needed material, which is green, sustainable, and cheap.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ten questions on future and extreme weather data for building simulation and analysis in a changing climate

Weather plays a significant role in building operations as it directly influences HVAC loads and in turn the building energy and thermal performance. In a changing climate, future trends and extreme weather events become critical concerns in the global building decarbonization and clean energy transition. This paper aims to address ten key questions concerning extreme and future weather data for building applications, and more importantly to identify research gaps and guide the curation and selection of future and extreme weather data for use in building performance simulation and assessment. The paper intends to inform architects and engineers, operators, owners, policy makers, and other stakeholders on considering the impacts of future and extreme weather data and adopting strategies for selecting and applying this data in various use cases related to building design, operation, and retrofit for energy efficiency, electrification, and climate resilience.

Yan, Da↗
DOE OSTI2025

Experimental validation of a co-simulation architecture for modeling whole-building and detailed electrical distribution performance

This article presents an experimental validation of a co-simulation architecture for simultaneously modeling whole-building energy performance and detailed building electrical distribution system performance. The co-simulation architecture consists of a whole-building energy model (EnergyPlus®) embedded within a Modelica-based building electrical distribution system library called the Building Electrical Efficiency Analysis Model (BEEAM) using the Functional Mock-up Interface standard. We validate the model using experimental data collected at a full-scale test cell within Lawrence Berkeley National Laboratory’s FLEXLAB® facility. In conclusion, we show that the co-simulation model accurately predicts the electrical, mechanical, and thermal performance of the test cell for typical loads with both an AC and a DC electrical distribution topology.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Commercial building HVAC demand flexibility with model predictive control: Field demonstration and literature insights

Model Predictive Control (MPC) for building Heating Ventilation and Air Conditioning (HVAC) systems is beginning to gain traction in the market, with a few controls companies incorporating it into their product offerings. However, it remains difficult to assess whether the energy cost savings are enough to justify the cost of MPC implementation for a particular building, given the limited number of reported demonstrations. For small commercial and residential buildings with relatively uniform systems, standardized approaches can help lower implementation costs. In contrast, for large buildings or district systems, the potential magnitude of cost savings could justify more customized solutions. Estimating the cost-effectiveness of MPC becomes more challenging for medium and large commercial buildings, where a one-size-fits-all solution may not be suitable, and the potential energy cost savings may be insufficient to justify a customized solution. To make MPC technology more appealing, incorporating additional value streams beyond energy efficiency alone can significantly increase its attractiveness. One such revenue stream is demand flexibility, in response to dynamic electricity prices, where MPC can leverage the thermal mass of the building to shift the load and support the grid. Building on an extensive literature review of MPC field studies focused on cost savings and demand flexibility, this paper presents the results of implementing MPC control in a large office building HVAC system in Berkeley, CA. Four different dynamic electricity price profiles were integrated into the MPC objective function to shift building demand while maintaining comfort, and field testing was performed with each price profile across four seasons. The results show potential for 40–65 % demand decrease percentage and up to 61 % annual cost savings compared to the existing rule-based control strategy, under the tested dynamic price scenarios. This paper also presents a sensitivity analysis on the cost savings with respect to the price profile variability, discusses the implementation effort for the price-responsive MPC, and compares the cost savings found in this study to those found in literature on the basis of dynamic price variability, or so-called Electricity Price Relative Standard Deviation.

Zanetti, Ettore↗
DOE OSTI2024

Design and optimization of flexible decoupled high-temperature gas-cooled reactor plants with thermal energy storage

Advanced nuclear power plants are well-positioned for future zero-carbon grids, however, the need for flexible power generation will be required over the traditional emphasis on baseload generation for meeting historical demands. To achieve such flexibility, this work examines viable configurations for coupling nuclear energy production with thermal energy storage. Previous designs on nuclear-thermal energy storage configurations for advanced reactor designs, which utilized reactor steam as the heat source for charging the thermal energy storage, are restricted by the heat diversion ratio and efficiency losses, thus their impacts can be limited. In this context, this study proposes configurations for fully decoupling the nuclear reactor from the power cycle and positioning the storage as an intermediate loop, thereby achieving an unconstrained heat diversion ratio and improved efficiency. Compared with a standard high-temperature gas-cooled reactor’s power cycle, steady-state thermodynamic modeling and dispatch optimizations quantify the benefits of a steam reheat cycle within the fully decoupled thermal energy system to separate the plant cycle from the high-pressure primary side. These benefits are further detailed, compatible with required high-temperature and high-pressure conditions, through (1) open-source dynamic transient models that examine the impact of off-design operation on the systems, (2) the investigation of components design and costing and finally (3) sizing and dispatch optimization. The fully-decoupled design achieves a cycle efficiency of 43.1%, an enhancement over the vendor’s standard efficiency of 42.2% (Xe-100 design). Here, the proposed design offers strengthened physical barriers from the nuclear island as well as superior operational flexibility and power boosting. Dispatch optimization and market analysis reveal that thermal energy storage size is highly dependent on the peak patterns of electricity prices and the minimum generation level constraint imposed on the balance of plant. Evaluation of off-design operation demonstrates that the full decoupling design with the suggested fail-safe control mechanisms ensures a minimal impact on reactor parameters, even during rapid power ramping.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitrobenzene Inferred by Reactive MD Simulations and Unsupervised Learning

When high-energy-density materials are subjected to thermal or mechanical insults at extreme conditions (shock loading), a coupled response between the thermo-mechanical and chemical behaviors is systematically induced. Herein we develop a reaction model for the fast chemistry of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) at the mesoscopic scale, where the chemical behavior is determined by underlying microscopic reactive simulations. The slow carbon cluster formation is not discussed in the present work. All-atom reactive molecular dynamics (MD) simulations are performed with the ReaxFF potential, and a reduced-order chemical kinetics model for TATB is fitted to isothermal and adiabatic simulations of single crystal chemical decomposition. Unsupervised machine learning techniques based on non-negative matrix factorization are applied to MD trajectories to model the decomposition kinetics of TATB in terms of a four-component model. The associated heats of reaction are fit to the temperature evolution from adiabatic decomposition trajectories. Using a chemical species analysis, we show that non-negative matrix factorization captures the main chemical decomposition steps of TATB and provides an accurate estimation of their evolution with temperature. The final analytical formulation, coupled to a diffusion term, is incorporated into a continuum formalism, and simulation results are compared one-to-one against MD simulations of 1D reaction propagation along different crystallographic directions and with different initial temperatures. A good agreement is found for both the temporal and spatial evolution of the temperature field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Protonated phosphonic acid electrodes for high power heavy-duty vehicle fuel cells

We report that state-of-the-art automotive fuel cells that operate at about 80 °C require large radiators and air intakes to avoid overheating. High-temperature fuel cells that operate above 100 °C under anhydrous conditions provide an ideal solution for heat rejection in heavy-duty vehicle applications. Here we report protonated phosphonic acid electrodes that remarkably improve the performance of high-temperature polymer electrolyte membrane fuel cells. The protonated phosphonic acids comprise tetrafluorostyrene-phosphonic acid and perfluorosulfonic acid polymers, where a perfluorosulfonic acid proton is transferred to the phosphonic acid to enhance the anhydrous proton conduction of fuel cell electrodes. By using this material in fuel cell electrodes, we obtained a fuel cell exhibiting a rated power density of 780 mW cm -2 at 160 °C, with minimal degradation during 2,500 h of operation and 700 thermal cycles from 40 to 160 °C under load.

25 ENERGY STORAGE↗
DOE OSTI2024

Statistical mechanical model for crack growth

Analytic relations that describe crack growth are vital for modeling experiments and building a theoretical understanding of fracture. Upon constructing an idealized model system for the crack and applying the principles of statistical thermodynamics, it is possible to formulate the rate of thermally activated crack growth as a function of load, but the result is analytically intractable. In this report an asymptotically correct theory is used to obtain analytic approximations of the crack growth rate from the fundamental theoretical formulation. These crack growth rate relations are compared to those that exist in the literature and are validated with respect to Monte Carlo calculations and experiments. The success of this approach is encouraging for future modeling endeavors that might consider more complicated fracture mechanisms, such as inhomogeneity or a reactive environment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Impact of Control on Availability and Cycling of Residential HVAC in a Real-World Experiment

Demand response is an important emerging part of smart grids and there is a large stream of research from theoretical and modeling perspectives. However, there is relatively little experimental evidence that could help researchers and building operators make informed decisions on best practices for modeling, developing, and deployment of control mechanisms. We contribute to the body of experimental research by providing numerical insights into the role and availability of residential HVAC systems for control. We share the findings on the duration of the cooling cycle, off cycle, and temperature settling time of HVAC systems from data collected from a smart neighborhood located in Atlanta, GA.

cycling↗
DOE OSTI2024

A Model for Hybrid Systems for Production Cost Modeling Studies Considering Ancillary Services

This paper introduces a model for simulating hybrid plants participating in energy and ancillary services for bulk power system studies. The model considers a hybrid plant comprised of a renewable energy source, a thermal power unit, a storage unit, fixed power loads, or any combination of these technologies. The model focuses on Production Cost Modeling (PCM) studies under the assumption of centralized dispatch. We present an example case study to illustrate the use of the model in a single-stage production cost model similar to those conducted by planning agencies. We explore the allocation of behind-the-meter ancillary services products and total energy participation to hybrid plant sub-assets and the resulting impacts on the system's ancillary service allocation. The model is implemented and simulated in a unit commitment problem in the RTS test system, which was modified to include a hybrid plant asset.

ancillary services↗
DOE OSTI2021

Estimating Spatial Distribution Impacts of Rooftops Solar PV on Dynamic Hosting Capacity Evaluation for a Real Distribution Feeder

This paper models the sensitivity of dynamic hosting capacity analysis to the spatial distribution of distributed PV scenarios, random, close and far from substation deployments, at various penetration levels on a real distribution feeder, in a quasi-static time series (QSTS) power flow simulation using high resolution time-aware metrics. These spatial distribution scenarios were chosen to capture a wide range of potential operation impacts of these deployments using a set of thermaland voltage-based metrics such as instantaneous violations and moving averages for both thermal and voltage constraints. This study uses actual load and PV data up-scaled from 1-hour time step to 1-minute resolution to fully characterize the interaction between the daily changes in load and PV output, and their impacts on distribution system operations.

distribution system↗
DOE OSTI2026

EASY-SHIFT v Alpha

The software is a generic, price- and load-responsive control algorithm integrating heat pumps with thermal energy storage. The algorithm leverages simple models of the system and easily accessible data to schedule operation of heat pumps and thermal energy storage in ways that minimize the cost of operating the heating/cooling system. This tool is specifically designed to be easy to interact with, and something that industry partners are able to adopt. There are two current state of the art approaches. Industry tends to develop very simple algorithms, with predetermined schedules that are not capable of changing operation in response to changes in operating environment. For example, a control designed to avoid high-price electricity from 5-8 PM will not be able to adapt if the high-price period changes to 4-9 PM. Academia commonly develops algorithms called Model predictive control (MPC). MPC requires extensive data and highly trained staff to develop a specific type of simulation model of the building, connect the building to optimization algorithms, and leverage powerful computers. Industry, with limited time/finance budgets for any project, is resistant to adopting MPC due to the associated high complexity and cost.

Grant, Peter [Lawrence Berkeley National Laborator↗
DOE OSTI2022

Reactor Physics Simulations of the High Flux Isotope Reactor Permanent Beryllium Reflector Number 5 Design

This study evaluates reactor physics aspects of the proposed High Flux Isotope Reactor (HFIR) permanent beryllium reflector number 5 design. HFIR is a pressurized, light water–cooled, and beryllium reflected research reactor that operates at 85 MW for cycle lengths of approximately 24 to 26 days. A new permanent reflector design is highly desirable for increased versatility in irradiation experiments, to arrange the vertical experiment facilities (VXFs) to minimize their impact on neutron scattering if loaded with neutronabsorbing experiments, to enhance reflector thermal-structural-hydraulic performance, and to simplify the complex fabrication process. The current number 4 and concept number 5 reflectors have 22 and 28 VXFs, respectively, and are modeled and analyzed in this study with the MCNP5 and SCALE 6.1.3 nuclear simulation codes.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

High Power Solid Target for Positron Source at CEBAF

The progress in the development of a polarized positron injector for the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Laboratory is presented. The polarized positron beam is generated by a high current polarized electron beam (>1 mA @ 120 MeV) via bremsstrahlung radiation and e+e- pair production in the tungsten target. The simulations show that using an optimized target and positron beamline, the positron injector can provide a cw positron beam with a current larger than 50 nA and a polarization as large as 60%. Injected into the North Linac of CEBAF at an energy of 123 MeV, the positron beam can reach a maximum energy of 12 GeV to perform a rich experimental program. The results of the thermal and structural FEA analysis of the heat load in the target are presented, as well as the simulation results of radiation damage in the target. The performed and planned target material fatigue and radiation damage tests are discussed. This work is supported by the U.S. DOE, Office of Science, Office of Nuclear Physics, Contract No. DE-AC05-06OR23177 and the European Union?s Horizon 2020 research and innovation program under grant agreement No. 824093.

Ushakov, Andriy↗
DOE OSTI2024

Environmentally Assisted Fatigue in Light Water Reactor Environment

This report summarizes the Environmentally Assisted Fatigue (EAF) research conducted at ANL under the US DOE Light Water Reactor Sustainability (LWRS) program. Starting from a rich background in theoretical and experimental EAF, ANL previously developed an approach to evaluate fatigue performance of reactor materials in light water reactor environments with the correction factor F en . The approach was based on a large body of experimental work performed at ANL and elsewhere, and was consistent with American Society of Mechanical Engineers (ASME)’s methodology governing the design and construction of reactor components. In recent years, the program was focused on component fatigue prediction and made several major and fundamental contributions in this area. These accomplishments help meet the needs identified by the industry concerning component level fatigue predictions in complex, transient conditions. The main contribution of the ANL program involved the development of a system-level model for estimating residual strain and life of nuclear reactor coolant system components under connected-system-thermal-mechanical boundary conditions. The goal was to predict the stress hotspots, strain residuals, strain amplitudes and the resulting fatigue lives. Thermal-mechanical stress analysis was performed considering thermal stratification and a design-basis reactor loading cycle. Based on the finite element (FE) model results, the strain residuals, strain amplitudes and resulting fatigue lives of reactor coolant system (RCS) components were predicted. The results show that some of the RCS components can have significantly different strain amplitudes, residual strain, and fatigue lives, despite having similar geometry and material. In addition, the simulated component-level strain profile can guide the selection of appropriate test inputs for conducting laboratory-scale EAF tests. Building upon the system-level model, ANL developed a digital twin (DT) framework to predict the structural states and associated fatigue life of components in real-time. This framework is a comprehensive system designed to predict the structural states and fatigue lives of reactor components. It includes multiple models and integrates artificial intelligence (AI), machine learning (ML), and FE based modeling tools to evaluate the structural states and fatigue lives.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Solid State Additive Manufacturing of Oxide Dispersion Strengthened-FeCrAl Alloy Components for High-Temperature Supercritical CO2 Power Cycle Applications

In this research, material extrusion additive manufacturing (MEAM) has been explored as an SSAM method for fabrication of 3-D components using ODS-FeCrAl alloy. MEAM-printed 3-D parts go through a series of process steps, e.g., chemical treatment, thermal treatment etc. in order to create a high density fully metallic part. Final 3-D part quality is associated with various process steps, e.g., filament fabrication, print design, and thermal treatment optimization. In MEAM, a metal powder loaded filament is used for printing 3-D shapes. Composition of the filament is very important since it provides shape retention at low-to-medium temperature. There are a few commercially available metallic alloy filaments. However, FeCrAl alloy filaments are not commercially available. In this project, we came up with a method to fabricate high quality composite FeCrAl filaments that could be used for MEAM printing. Subsequently, we have optimized MEAM print methods to fabricate samples that are larger than 10 mm, by using a modular print design approach. Finally, we have been able to optimize the chemical and high temperature heat treatment steps to achieve very high density (>98%) in sintered MEAM-printed products.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Performance, Combustion and Emissions Evaluation of Liquid Phase Port-Injected LPG on a Single Cylinder Heavy-Duty Spark Ignited Engine

Liquefied petroleum gas (LPG), like many other alternative fuels, has witnessed increased adoption in the last decade, and its use is projected to rise as stricter emissions regulations continue to be applied. However, much of its use is limited to dual fuel applications, gaseous phase injection, light-duty passenger vehicle applications, or scenarios that require conversion from gasoline engines. Therefore, to address these limitations and discover the most efficient means of harnessing its full potential, more research is required in the development of optimized fuel injection equipment for liquid port and direct injection, along with the implementation of advanced combustion strategies that will improve its thermal efficiency to the levels of conventional fuels. This paper focuses on the development of a liquid phase port-injection system for LPG, the design of a reference piston, and the baseline evaluation of the performance, combustion, and emissions characteristics of a single cylinder research engine to establish a benchmark comparable to existing LPG engines. A sweep of start of injection (SOI) timing is performed by injecting liquid LPG at several closed and open intake valve timings, which demonstrates no significant variation in engine performance, but accounts for a 10% reduction in bsCO with the optimal SOI timing. Spark timing sweep demonstrates the 50% burn crank angle location related to maximum brake torque (MBT) point with a brake thermal efficiency (BTE) of ~34% for the tested load case. The effect of equivalence ratio is also presented with optimal SOI timing at MBT condition. The engine starts exhibiting knocking combustion at 140kPa intake manifold air pressure (IMAP) with a peak torque of 253Nm and a 5% reduction in brake specific fuel consumption compared to the naturally aspirated scenario.

Fosudo, Toluwalase↗
DOE OSTI2024

A Model for Hybrid Systems for Production Cost Modeling Studies Considering Ancillary Services: Preprint

This paper introduces a model for simulating hybrid plants participating in energy and ancillary services for bulk power system studies. The model considers a hybrid plant comprised of a renewable energy source, a thermal power unit, a storage unit, fixed power loads, or any combination of these technologies. The model focuses on Production Cost Modeling (PCM) studies under the assumption of centralized dispatch. We present an example case study to illustrate the use of the model in a single-stage production cost model similar to those conducted by planning agencies. We explore the allocation of behind-themeter ancillary services products and total energy participation to hybrid plant sub-assets and the resulting impacts on the system's ancillary service allocation. The model is implemented and simulated in a unit commitment problem in the RTS test system, which was modified to include a hybrid plant asset.

ancillary services↗