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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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104 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A real-time multiphysics model of a pressurized solid oxide electrolysis cell (SOEC) for cyber-physical simulation

Solid oxide electrolysis cells (SOEC) can play important roles in integrated energy systems (IES) as the hydrogen production hub and the resilience energy hub. When tied to a microgrid with high renewable penetration, the SOEC is subjected to rapid load transitions in response to the intermittent renewable generations that occur not only in diurnal cycles but also in short timeframes (e.g., sub-minute). The cyber-physical simulation approach can derisk operability research but requires a real-time dynamic SOEC model. In the present work, a real-time multiphysics model for pressurized SOEC is developed and validated in the pressure range from 1.4 to 8bar. Further, the accuracy of the single repeating unit (SRU) assumption in SOEC stack simulation is quantified. A guidance of more than 45 cells in one SOEC stack is recommended to safely apply the SRU assumption. Modeling results suggest that at a given current density, more power is consumed by SOEC at elevated operating pressures. The anode air and cathode stream have major impacts on thermal management, highlighting the potential benefit of integrating SOEC with other thermal processes in IES. To achieve high hydrogen production efficiency, the SOEC could operate at the maximum endothermic point to maximize the use of thermal energy. The real-time execution of the developed SOEC model is also demonstrated, which only takes 0.1% of the fixed time step of 5ms. The developed model establishes the basis for cyber-physical simulation of SOEC hybrid systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Pressure‐Induced Structural and Optoelectronic Modulations in 2D Dion‐Jacobson Hybrid Lead Iodide Perovskites With a Rigid Spacer

2D hybrid organic-inorganic perovskites (HOIPs) are known for their superior chemical and thermal stability over 3D variants, positioning them as promising materials for advanced optoelectronic applications. Applying external high pressure is an effective strategy to modify their structures and tune their optoelectronic properties. This study examines the high-pressure behavior of a Dion-Jacobson type 2D HOIP, DPDAPbI 4 , which incorporates the rigid organic spacer N,N-dimethylphenylene-p-diammonium (DPDA). Utilizing photoluminescence, UV–visible absorption, vibrational spectroscopy, and in situ synchrotron powder X-ray diffraction, an isostructural phase transition is identified near 1.5 GPa, marked by a notable shift in photoluminescence intensity linked to free exciton emission. Synchrotron X-ray diffraction reveals significant anisotropic compression along the c-axis, while structural analysis indicates the rare phenomenon of reduced lead-iodide octahedral distortion below 2 GPa, contrasting with the increased octahedral distortion reported in most previous studies on lead-based 2D HOIPs. Density functional theory calculations elucidate the structural origins and mechanisms driving the pressure-induced phase transition and optoelectronic tuning. These findings underscore the critical interplay between rigid organic spacers and inorganic octahedra in modulating high-pressure optoelectronic properties, offering valuable insights for designing future 2D HOIPs with tailored functionalities.

14 SOLAR ENERGY↗
DOE OSTI2020

Off-design performance of molten salt-driven Rankine cycles and its impact on the optimal dispatch of concentrating solar power systems

This paper presents a model for improving off-design performance predictions for molten salt-driven Rankine power cycles, such as in concentrating solar power tower applications. The model predicts cycle off-design performance under various boundary conditions, including molten salt inlet temperature, mass flow rate, and ambient temperature. The model is validated using industry performance data and benchmarked with results from the literature. A complete concentrating solar power plant, inclusive of solar heliostat field and receiver, is then considered, by implementing the Rankine cycle off-design performance results into the National Renewable Energy Laboratory’s System Advisor Model software, which includes a tool that determines optimal power production schedules. The work improves upon the current System Advisor Model by updating off-design performance characteristics. A case study demonstrates the impact of cycle off-design behavior on annual performance for a stand-alone concentrating solar power system and a concentrating solar power-photovoltaic hybrid system. In addition, we demonstrate how cycle off-design performance influences optimal operator dispatch decisions and, thereby, overall system design and economics. We conclude that off-design cycle performance impacts “optimal” sub-system sizing, especially for a concentrating solar power-photovoltaic hybrid configuration in which concentrating solar power must dispatch in conjunction with photovoltaic generation.

14 SOLAR ENERGY↗
DOE OSTI2022

Principles to adapt financing mechanisms for fully integrated hybrid energy systems

As the electricity sector evolves, and as all energy types (thermal, electric, chemical, etc.) become more coupled, there has been increased interest to develop and deploy hybrid energy systems (HES). This work focuses on fully integrated HES, where there are multiple energy sources and multiple energy products, often coupled through a storage buffer. A significant amount of the available literature on this work describes technology pathways for fully integrated HES; however, it is unclear how financial institutions should treat these systems. Fully integrated HES represent an increase in complexity from their stand-alone counterparts, but they also potentially mitigate financial risk and provide value to the energy system, which has not yet been accounted for in financing mechanisms that could help to enable such systems. This paper provides some examples of fully integrated HES and proposes principles to help adapt financing to adequately capture the value of such systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Co-design optimization of combined heat and power-based microgrids

With the emergent need for clean and reliable energy resources, hybrid energy systems, such as the microgrid, are widely adopted in the United States. A microgrid can consist of various distributed energy resources, for instance, combined heat and power (CHP) systems. Here, the CHP module is a distributed cogeneration technology that produces electricity and recaptures heat generated as a by-product. It is an energy-efficient technology converting heat that would otherwise be wasted to valuable thermal energy. For an optimal system configuration, this study develops a novel co-design optimization framework for CHP-based cogeneration microgrids. The framework provides the stakeholder with a method to optimize investments and attain resilient operations. The proposed co-design framework has a mixed integer programming (MIP) model that outputs decisions for both plant designs and operating controls. The microgrid considered in this study contains six components: the CHP, boiler, heat recovery unit, thermal storage system, power storage system, and photovoltaic plant. After solving the MIP model, the optimal design parameters of each component can be found to minimize the total installation cost of all components in the microgrid. Furthermore, the online costs from energy production, operation, maintenance, machine startup, and disruption-induced unsatisfied loads are minimized by solving the optimal control decisions for operations. Case studies based on designing a CHP-based microgrid with empirical data are conducted. Moreover, we consider both nominal and disruptive operational scenarios to validate the performance of the proposed co-design framework in terms of a cost-effective, resilient system.

42 ENGINEERING↗
DOE OSTI2025

Numerical and experimental analysis of mechanically induced failure in electric vehicle battery modules

Mitigating thermal runaway and cell-to-cell propagation is essential for improving the safety of electric and hybrid vehicles. Enhancing digital twin capabilities to predict battery mechanical abuse is particularly critical for automotive and aerospace applications, where crashworthiness is a key concern. Understanding failure conditions and propagation in battery modules during mechanical abuse is complex due to interactions between structural deformation, heat transfer, electrochemical processes, exothermic reactions and mechanical fracture. While prior studies have focused on modeling cell-level behavior, extending these models to module or pack level is necessary for a system level understating of electric vehicle safety. This study develops coupled large deformation finite element models that simultaneously solve for electrochemistry, material failure, internal short circuit and thermal runaway propagation. The models account for mechanical and thermal interactions between lithium-ion cells and other battery components while the contact interfaces are evolving with time. Model-predicted voltage, temperature and force responses are compared with experimental data for validation. The results demonstrate that the approach captures key failure mechanisms, including thermal propagation through heat transfer, electrical propagation from short circuits in parallel-connected cells, and mechanical propagation via penetration and crack formation. These findings show that computational models are valuable tools for understanding battery module failure and providing insight that can reduce the need for extensive experimental testing.

25 ENERGY STORAGE↗
DOE OSTI2023

Scaling Up CSP: How Long Will it Take?

Concentrating solar power (CSP) is one of the few scalable technologies capable of delivering dispatchable renewable power. Therefore, many expect it to shoulder a significant share of system balancing in a renewable electricity future powered by cheap, intermittent PV and wind power: the IEA, for example, projects 73 GW CSP by 2030 and several hundred GW by 2050 in its Net-Zero by 2050 pathway. In this paper, we assess how fast CSP can be expected to scale up and how long time it would take to get new, high-efficiency CSP technologies to market, based on observed trends and historical patterns. We find that to meaningfully contribute to net-zero pathways the CSP sector needs to reach and exceed the maximum historical annual growth rate of 30%/year last seen between 2010-2014 and maintain it for at least two decades. Any CSP deployment in the 2020s will rely mostly on mature existing technologies, namely parabolic trough and molten-salt towers, but likely with adapted business models such as hybrid CSP-PV stations, combining the advantages of higher-cost dispatchable and low-cost intermittent power. New third-generation CSP designs are unlikely to play a role in markets during the 2020s, as they are still at or before the pilot stage and, judging from past pilot-to-market cycles for CSP, they will likely not be ready for market deployment before 2030. CSP can contribute to low-cost zero-emission energy systems by 2050, but to make that happen, at the scale foreseen in current energy models, ambitious technology-specific policy support is necessary, as soon as possible and in several countries.

concentrated solar power↗
DOE OSTI2022

FORCE Development Status Update: Vertical Integration and Benchmarking of System Dynamics

Recent efforts to establish effective models for grid energy analysis, especially given the increase in variable renewable energy (VRE) sources and the economic challenges faced by traditional nuclear energy, have generated new technological considerations. One effort to improve the economic viability of nuclear power involves investigating integrated energy systems (IES) which include secondary energy systems that introduce flexibility and secondary market possibilities to existing and perceived future nuclear energy generation technologies. To analyze the technical and economic potential of IES, the Framework for Optimization of Resources and Economics (FORCE) tool suite was developed through a collaboration among national laboratories. Within the FORCE tool suite, the Holistic Energy Resource Optimization Network (HERON) provides algorithms for analyzing the long-term viability of potential IES technologies, while HYBRID provides algorithms and models to achieve high-resolution analysis of coupling physics over a short time period. Continued maturing of the FORCE tool suite requires further interconnections between the various tools in the suite in order to ensure consistent analysis. Analyses performed by applying HYBRID to transient process modeling should be easily harvestable as inputs to HERON analyses. The first item in this status update is a demonstration of an automated data pipeline for loading data from HYBRID into HERON analyses. Application of HYBRID results to HERON, as part of using the FORCE tool suite, relies on robust modeling assumptions for the various models included in HYBRID. The second result of this status update is the benchmarking and validation of cost and operational data, with a particular focus on natural gas energy generators. These generators are benchmarked with a focus on contrasting them with proposed thermal energy storage (TES) technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Phonon lifetimes and mode softening in cubic Cs 2 AgBiBr 6

Metal halide perovskites (MHPs) have emerged as noteworthy candidates for photovoltaic applications in recent years. Their high power-conversion efficiency is largely attributed to the structure-function relationship, which is not well understood. In this study, we examine the low-frequency phonons of the double perovskite Cs 2 AgBiBr 6 using neutron inelastic scattering. We find that the acoustic phonon lifetimes decrease from 16 to 3 ps along Γ to X, which is indicative of significant anharmonicity that contributes to the ultralow thermal conductivity. Additionally, we observe a linear temperature dependence of the square of the zone-center soft optical phonon energy, which is consistent with a weakly first-order displacive cubic-tetragonal structural phase transition. These results provide a deeper understanding of the lattice dynamics and phase transitions in MHPs as well as the effects of anharmonicity by comparison with prototypical hybrid organic-inorganic MHPs, (CH 3 NH 3 ) PbX 3 (X = Br, I).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Salt Hydrate Eutectic Thermal Energy Storage for Building Thermal Regulation (Final Technical Report)

Thermal energy storage is anticipated to play an important role in developing the power grid of the future - a power grid that meets increasing demands of users, is resistant to disruptions, but also allows for greater penetration of renewable resources. Specifically, thermal energy storage materials can be integrated into HVAC systems and building envelopes, where they can be used to shift power demands for building climate control from periods of peak demand to periods of low demand. Phase change materials (PCMs) are compelling as low-cost, high energy density thermal energy storage materials for building thermal management. However, there is a lack of high performance low-cost PCMs within the specific temperature ranges which would most effectively allow for power load shifting. Inorganic salt hydrates represent a promising class of PCMs, but their inherent limitations cause them to be currently unavailable for reliable building applications. The overarching goals of this research effort are to: 1) Discover low-cost, high volumetric density salt hydrate eutectic PCMs to store low-quality heat (10 to 40 °C); 2) Introduce a high thermal conductivity matrix to reduce the time constant for energy storage to ~0.1 to 1 hr, incorporate nucleation catalysts to decrease undercooling, and utilize microencapsulation and shape stabilization approaches, minimizing moisture loss/gain, mitigating phase separation, and maintaining stable melting behavior over the lifetime of the compounds; 3) Evaluate the impact these systems have on peak load shifting, and the potential for overall energy savings under different climatic scenarios and building configurations. These goals will be achieved by an integrated research program consisting of six cohesive research subtasks: 1) Materials discovery of eutectic salt hydrate PCMs by using computationally predicted thermodynamic equilibria, coupled with high-throughput experimental validation, 2) Rapid experimental screening of nucleation catalysts identified through robust computational databases, 3) Embedding salt hydrate PCM into a low cost and scalable high conductivity matrix, 4) Microencapsulation of salt hydrate microspheres using hybrid inorganic-polymer microencapsulation approach, 5) Shape stabilization by thermoreversible salt hydrate salogels, and 6) Analysis of end-use using thermal simulations, and characterization of mock-up energy storage finished components.

25 ENERGY STORAGE↗
DOE OSTI2023

Novel Chalcopyrites for Advanced Photoelectrochemical Water Splitting

With the support of DoE’s EERE office, our team has established a unique tool-chest of capabilities, including theoretical modeling (Lawrence Livermore National Laboratory: LLNL), state-of-the-art synthesis (Hawaii Natural Energy Institute: HNEI, Stanford, and the National Renewable Energy Laboratory: NREL) and advanced materials and interfaces characterization (University of Nevada, Las Vegas: UNLV, and Lawrence Berkeley National Laboratory: LBNL), to accelerate the development of high efficiency and durable chalcopyrite materials for advanced photoelectrochemical (PEC) water splitting. Using this synergistic approach, we have successfully created new wide bandgap chalcopyrite photocathodes generating over 10 mA/cm 2 , developed innovative strategies to protect them from corrosion, and engineered novel integration methods to circumvent thin film materials mechanical, chemical and thermal incompatibility. In Task 1 “Modeling and synthesis of chalcopyrite photocathodes”, we expanded our library of wide bandgap chalcopyrites for PEC water splitting. With support from LLNL’s “Computational Materials Diagnostics and Optimization of PEC Devices”, LBNL’s “photophysical” and NREL’s “I-III-VI Compound Semiconductors for Water-Splitting” nodes, we investigated two new chalcopyrite candidates for PEC water splitting: Cu(In,Al)Se 2 and Cu(In,B)Se 2 . We also further developed ordered vacancy compounds, such as CuGa 3 Se 5 , with unprecedented durability during PEC waters splitting in acidic solutions. In Task 2 “Interfaces engineering for enhanced efficiency and durability”, we addressed both the non-ideal band-edge positions of chalcopyrites with respect to water redox potentials, as well as their chemical instability under PEC water splitting, with a buried-junctions approach. With help from NREL’s “High-Throughput Experimental Thin Film Combinatorial Capabilities” and “Corrosion Analysis of Materials” nodes, we engineered environmentally friendly n-type buffers, including Mn x Zn 1-x O, to adjust the chalcopyrite band-edge positions and achieved photovoltages as high as 925 mV. Also, we integrated non-precious catalytic-protecting layers, such as WO 3 , to enhance the water splitting long-term stability of chalcopyrite absorbers. Finally, in Task 3 “Hybrid photoelectrode device integration”, we proposed an innovative method to bond wide bandgap photocathodes onto narrow bandgap PV drivers at room temperature using conductive polymers. Our semi-monolithic approach addressed fundamental processing incompatibility issues, as both the photocathode and the PV driver are processed separately. Proof-of-concept whole-chalcopyrite tandems were obtained by consecutive exfoliation and transfer of fully integrated 1.85 eV CuGa 3 Se 5 and 1.13 eV CuInGaSe 2 stacks from their Mo/SLG substrates onto a new single FTO host substrate.

08 HYDROGEN↗
DOE OSTI2025

Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks

Thermochemical water-splitting (TCH) based on 2-step thermal redox cycles in metal oxides is a promising approach to generating H 2 , but state-of-the-art (SOTA) CeO 2 has several practical limitations, which has motivated continued materials discovery efforts in this field. Here, in this study, we improve upon a SOTA defect graph neural network (dGNN) surrogate model's oxygen vacancy predictions and combine them with materials project phase diagrams to down-select and discover structurally diverse, experimentally known metal oxides whose TCH performance was previously unknown. Amongst twelve candidates selected based on our high-throughput screening and down-selection criteria, we achieved ∼80% accuracy in identifying materials with stable redox cycling and hydrogen production in stagnation flow reactor water-splitting experiments. Closer to 100% accuracy can be achieved if higher-accuracy, hybrid DFT-predicted vacancy formation energies were computed and used in lieu of the most uncertain dGNN-based screening predictions, as they correct false positives to true negatives. Notably, two discovered candidates, Sr 3 PrMn 2 O 8 and Ba 2 Fe 2 O 5 , display hydrogen yields greater than CeO 2 under specific redox conditions. In conclusion, these results demonstrate our ability to computationally predict and experimentally validate promising candidate TCH materials that have the potential to compete with CeO 2 .

08 HYDROGEN↗
DOE OSTI2022

Repurposing Fossil-Fueled Assets For Energy Storage

The annual retirement of U.S. coal-fired electricity generation units (CF-EGU) is at an all-time high and is expected to continue. This loss of reliable baseload generation, combined with predicted growth of variable renewable energy (VRE) generation, is expected to stress grid reliability as the number of load-following resources drops below the experienced load variability. Many regions are already experiencing challenges, and fossil retirement-related warnings by the North American Electric Reliability Corp. are becoming more dire. All CF-EGU retirements pose significant challenges to asset owners, local workforces, and their communities. Repurposing a retiring CF-EGU as a long-duration energy storage plant can address these challenges and offer a suite of additional benefits to asset owners, the grid, and society. This project performed a techno-economic evaluation and assessment of repurposing a Duke Energy fossil-fueled asset (in particular, a coal plant) into an energy storage system by integrating the retiring asset with a Malta long duration Pumped Heat Energy Storage (PHES) system. The project validated the technoeconomic benefits of repurposing retiring coal plants into long-duration energy storage using Malta’s PHES. Key findings for this project are summarized below: (1) Technical: (a) Retiring coal plants (and other steam turbine fossil generation) can be repurposed to enable the clean energy transition using Malta’s technology. (b) For older retiring coal plants, repurposing the site and electrical interconnection for a standalone PHES plant is the most economically favorable option. (c) For newer coal plants where there is also a local peaking capacity need, repowering the steam cycle into a hybrid integration with PHES is attractive. (d) A process was developed to assist fossil generation owners in choosing the best path for each plant’s circumstances. (2) Economic (a) Communities facing economic challenges caused by the retirement of fossil generation would benefit from repurposing the plant as long-duration energy storage using Malta’s PHES. (b) On a $/MW basis, repowering retiring coal units into Malta PHES plants can maintain the same number and types of jobs and economic activity. (c) For a 70% carbon reduction scenario, a 10-hour Malta PHES plant is more economic for the asset owner than similar-power 4-hour batteries. This project showed that repurposing a retiring coal unit into thermal energy storage, by integrating it with a Malta PHES system, makes techno-economic sense. At least two integration options are available, with the optimal solution depending on the coal plant and its location. Repurposing retiring coal plant into energy storage results in economic benefits for the plant owner and local communities.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Development of Energy Storage: Cost models

Energy storage technologies offer a promising solution to electric grid stability issues associated with the integration of variable renewable generators. The capability to match the electrical power output to instantaneous fluctuations in grid demand is crucial to ensure continuity of service. Including energy storage capability in an integrated energy system (IES) can provide the flexibility needed to meet variable electric demand and reduce the load following demands place on the reactor. In this report, economic data collected for energy storage (ES) technologies are described to support the objective of assessing the profitability of ES integration within the IES framework. In particular, there is a growing interest in thermal energy storage (TES) given its unique capability for long-duration storage for improving electricity reliability at a low levelized cost. It is common practice to evaluate the total lifetime cost and profitability before commercializing new technologies. In this report we identify and examine the models needed to better understand the economics of thermal energy storage. We extend the TES cost model in RAVEN in the context of a balance of plant (BOP) that incorporates thermal storage. To focus the discussion, following a general overview of the most promising TES technologies, we consider a use case that involves a sensible heat, two-tank, molten-salt system. Structural and operational details are reported to identify the source of construction capital expenditure and operation and maintenance cost. A detailed description of the different cost items is provided as well as the cost scaling with different storage capacity and power ratings for capacity optimization purpose. In addition, the capital expenditure and the recurring cost of representative two-tank, molten salt coupled with concentrated solar plants are provided for readers’ reference. The ES use case is noteworthy as it is in the pilot stage of commercialization. We identify those areas that would benefit from an increased economic focus to obtain a more complete compilation of cost data. We also describe the thermal coupling issues that arise from integration of the two-tank molten salt thermal energy storage system with a BOP, which is the subject of our current research. Some components of costs will need to be evaluated through dedicated technoeconomic analysis in future modeling activities using modeling procedures proposed in this report. With the data presented and the procedures described in this report, sufficiently accurate models can be implemented for the solution of both the power dispatch and the capacity expansion problems within the RAVEN-based HYBRID framework.

25 ENERGY STORAGE↗