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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Hybrid Heavy-Duty Diesel Power System for Off-Road Applications - Concept Definition

A multi-year Power System R&D project was initiated with the objective of developing an off-road hybrid heavy-duty concept diesel engine with front end accessory drive-integrated energy storage. This off-road hybrid engine system is expected to deliver 15-20% reduction in fuel consumption over current Tier 4 Final-based diesel engines and consists of a downsized heavy-duty diesel engine containing advanced combustion technologies, capable of elevated peak cylinder pressures and thermal efficiencies, exhaust waste heat recovery via SuperTurbo™ turbocompounding, and hybrid energy recovery through both mechanical (high speed flywheel) and electrical systems. The first year of this project focused on the definition of the hybrid elements using extensive dynamic system simulation over transient work cycles, with hybrid supervisory controls development focusing on energy recovery and transient load assist, in Caterpillar’s DYNASTY™ software environment. Three key off-road applications were the focus of the hybrid concept definition with an aim of understanding the system’s modular capability for the diverse off-road heavy-duty market. Core engine performance 1D and 3D simulations isolated the efficiency contributions from the downsized engine, turbocompounding, and in-cylinder thermal barrier coatings. A fuel consumption improvement range of 14 to 24% was predicted, resulting in successful project progression to the design and experimental validation phase. Furthermore, an overview of the experimental engine and hybrid system status concludes the discussion along with the multi-year project’s next steps.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Elevating the Practical Application of Sodium-Ion Batteries through Advanced Characterization Studies on Cathodes

Sodium-ion batteries (SIBs) have emerged as promising alternatives to their lithium-ion counterparts due to the abundance of sodium resources and their potential for cost-effective energy storage solutions. The chemistry for SIBs has been investigated since the 1980s, but it went through a slow research and development process. Recently, there has been an acceleration in technology maturation due to a supply chain crisis originating from unequal resource distribution and sustainability and safety concerns regarding lithium-ion batteries. However, the practical application of SIBs has been hindered primarily by challenges related to cathode materials, specifically, surface and structural stabilities in different conditions. Through the integration of advanced techniques such as in situ spectroscopy, operando diffraction, and high-resolution microscopy, a comprehensive understanding of the cathode’s dynamic behavior and degradation mechanisms can be achieved. The identified structural modifications, phase transitions, and degradation pathways offer critical insights into the design of robust cathode materials with prolonged cycling stability, fast charging capability, high energy density, great low-temperature performance, and safety. This review underscores the pivotal role of cutting-edge characterization techniques in guiding the development of high-performance sodium-ion batteries, thereby fostering the realization of sustainable and efficient energy storage solutions for diverse technological applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Composite biopolymer electrolytes for high-performance reversible zinc-air batteries

Zinc-air batteries (ZABs) are regarded as one of the most promising candidates for next-generation energy storage systems due to their inherent safety, high energy density, and low cost. In this study, we optimized the composition of gel polymer electrolytes (GPEs), which play a crucial role in enhancing ZAB reversibility due to their water retention capabilities. The GPEs are synthesized using a combination of polyacrylic acid (PAA), polyacrylamide (PAM), and biopolymer kappa-carrageenan (KC), with and without additional additives. Among these, the composite GPE containing KC, PAA, and PAM demonstrated superior ionic conductivity (6.68 mS/cm at 30 °C) and enhanced water retention compared to the PAA–PAM-based GPE. Furthermore, this composite electrolyte operates within a wider electrochemical window of −1.0 V–2.2 V. A bifunctional catalyst, nickel–iron layered double hydroxide (NiFe-LDH), is electrochemically synthesized on a modified activated carbon cloth (CC). The catalyst loading is optimized based on oxygen evolution reaction (OER) performance, showing an overpotential of 555 mV. The oxygen reduction reaction (ORR) occurred at a half-wave potential of 0.620 V, which is lower than that of Pt/C (0.852 V), indicating better catalytic activity. The KC based cell exhibit better cycling stability than PAA–PAM-based GPE. The electrochemical performance of ZAB cells is evaluated under various atmospheres: ambient air and humid conditions and temperatures. Notably, in a humid environment, the cells achieved extended cycling stability, operating for over 500 h—significantly longer than under open-air conditions. Overall, this study highlights the importance of tailored GPE design and efficient bifunctional catalysts to enhance the performance and longevity of zinc-air batteries for long-duration energy storage applications.

Catalyst↗
DOE OSTI2025

SiC Receiver/Reactor by Additive Manufacturing for Concentrated Solar Thermocatalysis with Thermal Energy Storage (Final Technical Report - Public)

The direct use of solar thermal energy provides opportunities for low-cost heating sources for a variety of applications. Ultra-high temperatures around 1000°C are high value and highly useful for energy-demanding industries. Many materials cannot withstand these conditions. In the area of Sustainable Chemicals, further limitations on material stability exist. Combining state-of-the-art materials with new designs provides a promising pathway for harvesting solar thermal energy and performing high temperature chemical processes. However, conventional manufacturing limits the potential for design flexibility. In this project, Additive Manufacturing was combined with advanced materials and new chemical reactor designs. In addition, 24/7 energy is necessary for chemical processing, and designs for ultra-high temperature thermal storage were devised. Specifically, preliminary design of a novel solar thermal receiver was developed in this project and designed to work with thermocatalytic reactors for producing sustainable chemicals and fuels. An ultra-high temperature particle storage system and heat exchangers were proposed to transport ultra-hot air as thermal fluid for the system. On a broader scale, this system could be used to tap solar thermal energy for a centralized facility with capability of transferring that heat to various segments at a full range of temperatures to 1000°C. The project pushed the temperature boundaries past those in current use, and Additive Manufacturing was envisaged for fabricating the receiver to meet requirements of extreme environments. An extensive analysis of silicon carbide additive manufacturing was performed to compare the thermal and mechanical properties of complex geometries compared to conventional material and those manufactured via other methods. The Additive Manufacturing via Binder-Jet printing was optimized and characterized to provide high quality and reproducible components capable of withstanding the proposed extreme environments. The designs for the concentrating solar thermal cavity with ultra-hot air thermal fluid showed high performance in simulations, attributable to the complex optimized geometries of the 3D printed systems. The bright future of Additive Manufacturing with advanced materials developments should provide more options and even higher quality as the technology further develops. Current costs for Additive Manufacturing of advanced ceramics is relatively low, however post-processing of the materials for extreme environments is currently high. There is little industrial-scale infrastructure for these, but it is growing as niche applications become more mainstream. The results of the project can be translated into similar extreme environments for concentrating solar thermal energy as well as its integration with ultra-hot air thermal fluids. A number of industries that require ultra-high temperatures need to electrify or otherwise decarbonize for climate goals, and this project showed that theoretically there is a pathway to do so with direct concentrated solar thermal power.

10 SYNTHETIC FUELS↗
DOE OSTI2024

CO 2 storage site characterization using ensemble-based approaches with deep generative models

Estimating spatially distributed properties such as permeability from available sparse measurements is a great challenge in efficient subsurface CO 2 storage operations. In this paper, a deep generative model that can accurately capture complex subsurface structure is tested with an ensemble-based inversion method for accurate and accelerated characterization of CO 2 storage sites. We chose Wasserstein Generative Adversarial Network with Gradient Penalty (WGAN-GP) for its realistic reservoir property representation and Ensemble Smoother with Multiple Data Assimilation (ES-MDA) for its robust data fitting and uncertainty quantification capability. WGAN-GP are trained to generate high-dimensional permeability fields from a low-dimensional latent space and ES-MDA then updates the latent variables by assimilating available measurements. Several subsurface site characterization examples including Gaussian, channelized, and fractured reservoirs are used to evaluate the accuracy and computational efficiency of the proposed method and the main features of the unknown permeability fields are characterized accurately with reliable uncertainty quantification. Furthermore, the estimation performance is compared with a widely-used variational, i.e., optimization-based, inversion approach, and the proposed approach outperforms the variational inversion method in several benchmark cases. We explain such superior performance by visualizing the objective function in the latent space: because of nonlinear and aggressive dimension reduction via generative modeling, the objective function surface becomes extremely complex while the ensemble approximation can smooth out the multi-modal surface during the minimization. This suggests that the ensemble-based approach works well over the variational approach when combined with deep generative models at the cost of forward model runs unless convergence-ensuring modifications are implemented in the variational inversion.

42 ENGINEERING↗
DOE OSTI2024

Electron Configuration Modulation Induced Stabilized 1T-MoS 2 for Enhanced Sodium Ion Storage

1T-MoS 2 has become an ideal anode for sodium-ion batteries (SIBs). However, the metastable feature of 1T-MoS 2 makes it difficult to directly synthesize under normal conditions. In addition, it easily transforms into 2H phase via restacking, resulting in inferior electrochemical performance. Here, the electron configuration of Mo 4d orbitals is modulated and the stable 1T-MoS 2 is constructed by nickel (Ni) introduction (1T-Ni-MoS 2 ). The original electron configuration of Mo 4d orbitals is changed via the electron injection by Ni, which triggers the phase transition from 2H to 1T phase, thus improving the electrical conductivity and accelerating the redox kinetics of the material. Consequently, 1T-Ni-MoS 2 exhibits superior rate capability (266.8 mAh g -1 at 10 A g -1 ) and excellent cycle life (358.7 mAh g -1 at 1 A g -1 after 350 cycles). In addition, the assembled Na 3 V 2 (PO 4 ) 3 /C||1T-Ni-MoS 2 full cells deliver excellent electrochemical properties and show great prospects in energy storage devices.

1T-MoS2↗
DOE OSTI2025

Sulfur Conversion to Donor‐Acceptor Ladder Polymer Networks through Mechanochemical Nucleophilic Aromatic Substitution for Efficient CO 2 Photoreduction

The development of synthetic methods capable of converting elemental sulfur into conjugated porous sulfur‐rich polymers remains a great challenge, although direct utilization of this readily available feedstock can significantly enrich its uses and circumvent environmental problems during sulfur storage. Here, we report herein mechanochemical (MC) nucleophilic aromatic substitution (S N Ar) that enables sulfur conversion into thianthrene‐bridged porous ladder polymer networks with dense donor‐acceptor (D−A) molecular junctions. We demonstrate that the key lies in the generation of bent thianthrene units through a solid‐state ball‐milling condensation reaction between 1,2‐dihaloarenes and elemental sulfur. We also show that the assembling of D−A structural motifs into porous networks affords efficient visible‐light‐driven photocatalytic reduction of carbon dioxide (CO 2 ) with water (H 2 O) vapor, in the absence of any additional photosensitizer, sacrificial agents or cocatalysts. Exceptional photoinduced charge separation along with boosted exciton dissociation results in a high‐performance of carbon monoxide (CO) production rate of 306.1 μmol g −1 h −1 with near 100 % CO selectivity, which is accompanied by H 2 O oxidation to O 2 , as confirmed by both experimental and theoretical results. We anticipate this novel MC S N Ar approach will advance processing techniques for direct sulfur utilization and facilitate new possibilities for the synthesis of D−A ladder polymer networks with promising potential in photocatalysis.

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

Influence of MXene termination groups on hydrogen interactions

MXenes are a relatively new class of nanomaterial consisting of alternating layers of transition metals and carbon or nitrogen, capped off on either end by terminal groups, usually from the P-block. They have been considered for a wide range of purposes, including hydrogen storage. In this study, thermogravimetric analysis and mass spectrometry residual gas analysis are performed on Ti 3 C 2 T x and Ti 2 CT x to characterize their terminal groups. The hydrogen absorption capabilities of the heat-treated samples are measured using a Sievert apparatus and compared against untreated samples. This reveals that, during heating, the MXenes lose hydrogen, water, fluoride, hydrofluoric acid, and carbon dioxide. Isothermal absorption measurements suggest that the removal of termination groups might improve hydrogen uptake kinetics at high temperatures, but has little effect at room temperatures.

08 HYDROGEN↗
DOE OSTI2024

Manufacturing Supply Chain Development for Modular Solar-Thermochemical Conversion Platform [Abstract]

We will develop a tunable pulsed electron source capable of generating variable intensity highly-focused electron pulses at high repetition rates. Specifically, we need to demonstrate a high-speed variable electron gun capable of generating a variable intensity electron pulse containing between 102 and 105 electrons with an accelerating voltage of 1kV focused into a spot size <100nm in diameter at with a pulse rate >10MHz (with path to 300MHz). This combined performance cannot be achieved by commercially available electron sources. The primary technology path selected for this work will be to use a photocathode approach, where an easily modulated UV laser is used to stimulate electron emission. The approach utilizes the advances made in the development of the Dynamic TEM (DTEM), though this project will be simpler in that the pulse intensity is lower and there is no requirement for coherency. Alternate paths, including using a traditional electron beam modulated using a v-shaped slit and electrostatically deflecting the beam to adjust intensity; will also be considered for future capabilities. The electron source will then be used generate optically stimulated luminescence (OSL) in lithium fluoride (LiF) substrates to demonstrate the potential for OSL to serve as a basis technology for next generation data storage systems.

42 ENGINEERING↗
DOE OSTI2024

Update on Parallel Process Execution in the Next Generation System Analysis Model

As of the end of 2021, 88,880 metric tons of heavy metal (MTHM) (44,741 MTHM in dry storage; 44,139 MTHM in wet storage) of spent nuclear fuel (SNF) were stored at various reactor sites across the United States [1]. The Office of Storage and Transportation in the Department of Energy is planning for the transportation, storage, and eventual disposal of SNF and high-level radioactive waste (HLW). To aid in this effort and inform decision-makers about the backend of the spent fuel cycle, systems analysis tools capable of analyzing the various options with respect to SNF and HLW management are being used as well as continuously improved to meet the evolving needs of the program. System analysts typically use these tools to vary underlying assumptions (shipping rates, allocation priority, available facilities, start dates, etc.) and study the implications of these changes on site clearance schedules, campaign costs, transportation infrastructure acquisition, etc.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Quantum Chemistry-Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy Storage Materials

Here we employed Density Functional Theory (DFT) to compute oxidation potentials of 1,400 homobenzylic ether molecules to search for the ideal sustainable redoxmer design. The generated data were used to construct an active learning model based on Bayesian optimization (BO) that targets candidates with desired oxidation potentials utilizing only a minimal number of DFT calculations. The active learning model demonstrated not only significant efficiency improvement over the random selection approach but also robust capability in identifying desired candidates in an untested set of 112,000 homobenzylic ether molecules. Our findings highlight the efficacy of quantum chemistry-informed active learning to accelerate the discovery of materials with desired properties from a vast chemical space.

25 ENERGY STORAGE↗
DOE OSTI2026

Enhanced electrochemical performance and extended cycling of resorcinol-formaldehyde derived N-doped carbon xerogel for alkali metal-ion (Li/Na/K) batteries

Resorcinol formaldehyde-derived carbon xerogel (RFC) is a versatile material with tuneable properties, synthesized through a simple sol-gel method. This study presents nitrogen-doped RF carbon xerogel (N-RFC) with 11.8 at% nitrogen doping, offering a microporous architecture ideal for alkali metal-ion (Li, Na, K) batteries. The porous N-doped framework enhances electrochemical performance by improving ion transport, increasing active storage sites, and significantly boosting metal-ion adsorption, particularly through pyrrolic nitrogen, as revealed by first-principles calculations supported by XPS analysis. N-RFC anodes showed excellent cycling stability, high-capacity retention, and fast charge/discharge capabilities, rendering them suitable for commercial applications. Notably, the N-RFC anode demonstrates high-rate long-term cycling stability, retaining its capacity of 83.5 % (188 mAh/g at 2 C-rate) and 50 % (133 mAh/g at 1250 mA/g) over 1000 cycles for Li and Na-ion batteries, respectively, favorable for commercial battery applications. Additionally, N-RFC demonstrates a reversible capacity of 120 mAh/g after 394 cycles with a retention of 82 % for K-ion batteries. The ability of the material to accommodate larger ions like Na + and K + further emphasizes its versatility and potential application in diverse alkali metal-ion battery systems.

25 ENERGY STORAGE↗
DOE OSTI2023

Demonstrating Load-Shaping Capabilities of Cost Minimizing Heat Pump Water Heater Controls with Varying Price Profiles

Increased penetration of photovoltaics and electrification of traditionally gas appliances are exacerbating existing challenges in cost-effectively balancing electricity grid supply and demand. Decarbonization without incurring expensive transmission and distribution system capacity increases requires shifting building loads from peak demand times to peak renewable production times. Grid operators are evaluating new ways of encouraging load shifting, including using time-varying price structures to provide a financial incentive. If devices incorporate price-responsive controls, a price profile could be designed to yield a wide variety of load curves as needed to optimize grid functionality. Heat pump water heaters (HPWHs) are an ideal device for price-responsive controls because the storage tank enables them to optimize the timing of electricity consumption without impacting hot water delivery service. This paper presents work demonstrating how price-responsive controls for HPWHs can provide different load profiles, as needed to stabilize the grid, in response to different price profiles. HPWH manufacturers now include web API and CTA-2045 communication capabilities which enable sending load shaping control signals. Pilot studies and preliminary programs have utilized these capabilities with uniform control strategies to reduce 4-9 PM electricity consumption. However, no studies have developed flexible controls capable of both a) responding to constantly varying price profiles and b) customizing logic to match the needs of each HPWH. Berkeley Lab's CalFlexHub project is pioneering price-driven load flexibility by developing and deploying cost-minimizing controls utilizing setpoint setting signals for fleets of HPWHs in response to varying price profiles. Control development is based on simulations using the Flexible Heat Pump Water Heater Performance Predictor which captures the control decisions of a residential, integrated HPWH manufacturer’s on-board controller. The proposed cost-reducing controls respond to constantly changing price profiles, providing the ability to change the price profile to generate load curves as needed to maintain grid stability. Preliminary simulations studying the load shaping capabilities of price-responsive controls on a fleet of 60 HPWHs have demonstrated an average of a) 135.4% increases in load during low-price periods, b) >36.8% reductions in electricity peak-price period, and c) 6.2% electricity cost savings.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Proton-enabled biomimetic stabilization of small-molecule organic cathode in aqueous zinc-ion batteries

Small-molecule organic cathode materials offer flexible structural design features, high capacity and sustainable production. Nonetheless, the stability decrease due to the high solubility of the electrode materials especially under electrochemical cycling conditions limits their wide-range applications in energy storage technologies. Here we describe a nature-inspired strategy to address cathode stability via introduction of transient vinylogous amide hydrogen bond networks into the small-molecule organic electrode material hexaazatrianthranylene (HATA) embedded quinone (HATAQ). Thanks to the proton-enabled biomimetic mechanism, HATAQ exhibits unparalleled cycling stability, ultra-high capacity and rate capability in aqueous zinc-ion batteries, delivering 492 mA h g -1 at 50 mA g -1 and a reversible capacity of 199 mA h g -1 , corresponding to 99% retention at 20 A g -1 after 1000 cycles.

25 ENERGY STORAGE↗
DOE OSTI2023

A Goldilocks Approach to Water Management: Hydrochannel Porous Transport Layers for Unitized Reversible Fuel Cells

Abstract This work presents a novel porous transport layer (PTL), the hydrochannel PTL, that enables improved water management and record high round trip efficiency in unitized reversible fuel cells (URFCs). URFCs require rapid transport of O 2 and H 2 O to provide high performance in both fuel cell and water electrolyzer operation, but cell design is complicated by conflicting water management requirements: electrolyzers perform best with high liquid water saturation, whereas fuel cells perform best when liquid water saturation is as low as possible while still maintaining effective ionomer hydration. The hydrochannel PTL circumvents this obstacle by providing hydrophilic channels for water transport through an otherwise hydrophobic PTL, enabling optimal performance in both fuel cell and water electrolyzer modes. Neutron radiography measurements of water content in both operating modes confirm that the hydrochannel PTL enables high performance due to its improved water management capabilities.

25 ENERGY STORAGE↗
DOE OSTI2026

Novel Organosulfur-Based Electrolytes for Safe Operation of High Voltage Li-ion Batteries over a Wide Operating Temperature

This project addresses the failure of conventional electrolytes and enables high-voltage operation of lithium-ion batteries (LIBs) by developing a novel organosulfur-based electrolyte system. To achieve this goal, we first designed and synthesized new organosulfur solvents that functionalized with strong electron-withdrawing groups such as fluoroalkyl and cyano substituents. Through regio-specific molecular engineering, supported by theoretical calculations, we lowered the highest occupied molecular orbital (HOMO) energy levels of these molecules to increase their anodic stability for high-voltage operation. We then optimized the formulation of the organosulfur-based electrolyte with additives, co-solvents and salts tailored to the newly synthesized solvent molecules. In parallel, we utilized advanced spectroscopic techniques—including in situ FTIR, EIS, and DEMS—to thoroughly elucidate the mechanisms of interaction between the electrolyte and electrode materials. Finally, we evaluated 2 Ah pouch cells under both normal and extreme conditions. Pouch cells with the newly developed electrolyte system demonstrated >90% capacity retention after 500 cycles under 4.5 V operating voltage, >80% capacity retention after 1000 cycles in coin cell level. In addition, the cells exhibited high safety and reliable operation capability over a wide temperature range from −30 °C to +45 °C.

25 ENERGY STORAGE↗
DOE OSTI2022

Real-Time Monitoring of Gas-Phase and Dissolved CO 2 Using a Mixed-Matrix Composite Integrated Fiber Optic Sensor for Carbon Storage Application

Novel chemical sensors that improve detection and quantification of CO 2 are critical to ensuring safe and cost-effective monitoring of carbon storage sites. Fiber optic (FO) based chemical sensor systems are promising field-deployable systems for real-time monitoring of CO 2 in geological formations for long-range distributed sensing. Here, a mixed-matrix composite integrated FO sensor system was developed with a purely optical readout that reliably operates as a detector for gas-phase and dissolved CO 2 . A mixed-matrix composite sensor coating consisting of plasmonic nanocrystals and hydrophobic zeolite embedded in a polymer matrix was integrated on the FO sensor. The mixed-matrix composite FO sensor showed excellent reversibility/stability in a high humidity environment and sensitivity to gas-phase CO 2 over a large concentration range. This remarkable sensing performance was enabled by using plasmonic nanocrystals to significantly enhance the sensitivity and a hydrophobic zeolite to effectively mitigate interference from water vapor. The sensor exhibited the ability to sense CO 2 in the presence of other geologically relevant gases, which is of importance for applications in geological formations. A prototype FO sensor configuration which possesses a robust sensing capability for monitoring dissolved CO 2 in natural water was demonstrated. Reproducibility was confirmed over many cycles, both in a laboratory setting and in the field. More importantly, we demonstrated on-line monitoring capabilities with a wireless telemetry system, which transferred the data from the field to a website. The combination of outstanding CO 2 sensing properties and facile coating processability makes this mixed-matrix composite FO sensor a good candidate suitable for practical carbon storage applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

ARJUNA: An Electrochemical Interface Mapping Probe for Solid-State Batteries

Solid-state batteries (SSBs) are promising candidates for next-generation energy storage, although their performance can be compromised by interfacial heterogeneity within the electrolyte. Furthermore, ensuring the quality of large form-factors electrolyte film is crucial for establishing a robust manufacturing platform for solid-state batteries. Herein, we report on the use of ARJUNA, an electrochemical interface mapping system, to characterize heterogeneities at solid electrolyte interfaces and to serve as a quality control system for SSB manufacturing. In addition to spatial mapping, the proposed system can also probe the interface behavior as a function of pressure and temperature. We present the operating principle, design, instrumentation, and evaluation of the system alongside a typical hybrid solid electrolyte produced using two common manufacturing processes. This report showcases the capability of ARJUNA to probe the heterogeneity and quality of processed solid electrolyte films.

25 ENERGY STORAGE↗