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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Mechanical Design Guidelines to Inhibit Fracture in Perovskite Solar Cells

Perovskite (PVSK) solar cells offer significant benefits over conventional silicon cells including low-cost solution processibility, minimal materials usage related to strong photon absorption in thin-film cell architectures, and a tunable bandgap. However, PVSK films are mechanically fragile, and fracture of PVSK layers and adjacent interfaces are a significant concern during fabrication, encapsulation, and operation. Herein, a thin-film mechanics fracture analysis tailored for p–i–n and n–i–p PVSK solar cells on both soda lime glass and polyimide substrates fabricated with three PVSK crystallization methods is presented. Here, the role of thermal processing of each cell layer is explored to determine the maximum allowable temperature below which fracture is inhibited. In the analysis, the mechanics basis for processing and materials selection guidelines for preventing fracture in PVSK solar cells is provided.

adhesion↗
DOE OSTI2025

Three-Dimensional Bubble Fluidics in Architected Porous Media

Gas bubble flows in porous media often exhibit complex and seemingly unpredictable behaviors that are difficult to control. This lack of control limits the ability to design effective devices which manage multiphase flows. Here, we show how the design of 3D printed pores can deterministically control the flow path of an injected gas stream. Open cell structures can be designed to shape the gas/liquid interface with fidelity to control how the two phases are distributed throughout a porous material. The distributed gas volume is free to interact physically and chemically with the surrounding liquid phase, an effect we exploit to create a logical control gate to redirect flows within a lattice. This also allows us to design architectures for reactive capture and aerating bioreactors, resulting in patterned boundaries which can make more effective use of the liquid and gas reagents.

3D microfluidics↗
DOE OSTI2026

Cobalt-Free Lithium and Manganese Rich Cathodes for Electric Vehicle Applications: Influence of Inherent Properties on Temperature-Dependent Performance

Lithium- and manganese-rich (LMR) oxides are attractive options as next-generation, earth-abundant cathodes. Despite inherent properties that result in less-than-ideal performance, advancements in this class of cathodes toward commercialization have been steady. Herein, we report a benchmark study on the influence these inherent properties exert on the discharge rate of Co-free, LMR//graphite (Gr) cells as a function of temperature. Because low-temperature performance is an essential consideration in the design of electric vehicle cells, understanding the limitations of current LMR systems is essential in understanding their current applicability as well as strategies for improvement. This work identifies two major limitations in the rate performance of LMR//Gr cells and suggests several areas of focus where practical strategies may provide improvements.

25 ENERGY STORAGE↗
DOE OSTI2024

Development of a Half-Meter Scale Traveling-Wave (TW) SRF Cavity

While a demonstration of TW resonance excitation in the 3-cell structure in 2K liquid helium had been prepared and carried out at Fermilab in collaboration with Euclid Techlabs, the RF design process of 0.5~1 meter scale TW cavity was begun at Fermilab as the next step of TW development towards an accelerator-scale one. Considering the physical dimensions of existing SRF facilities (for fabrication, processing, and cryogenic testing), Fermilab has proposed a half-meter scale TW RF design consisting of a 7-cell structure and a power feedback waveguide (WG) loop. The WG loop design includes the new RF configurations for TW resonance control during a high-power operation. 1-year US-Japan collaboration program focused on EBW optimization for the TW shape iris joint within the narrow gap was awarded and the efforts has been made by Fermilab, Jlab, and KEK. 1-year LDRD program of Fermilab is awarded recently to fabricate a low-cost mockup of the WG loop with new RF configurations and validate them. Here we will present a preliminary 7-cell TW RF design and will report the progress and challenges through the programs awarded.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Durable, Ultra-Thin Diaphragms for Liquid Alkaline Water Electrolysis

W. L. Gore & Associates assembled a world class team (De Nora Tech, LLC; New York University; and thyssenkrupp nucera) to develop durable, ultra-low resistance diaphragms that dramatically improve system efficiency, dynamic response, and operational flexibility. To enable the use of ultra-thin diaphragms, an optimized electrode package was chosen as part of an electrode down select study. Ultra-thin diaphragms based on microporous polymer scaffolds imbibed with zirconia nanoparticles were developed and tested. Performance and durability on par with incumbent materials was demonstrated. A transparent electrolyzer to directly observe in-situ diaphragm-bubble interactions was designed and built, and simultaneous optical and electrochemical performance tests were performed. A Pressurized Alkaline Water Electrolysis (PAWE) single cell test station was designed to support advanced R&D in high-pressure electrolysis, particularly for evaluating novel electrode and separator configurations under elevated temperature and pressure operating conditions. Due to early project termination, the original scope could not be fully achieved.

08 HYDROGEN↗
DOE OSTI2025

Understanding Reliability Trade-Offs in 1T-nC and 2T-nC FeRAM Designs

Ferroelectric random access memory (FeRAM) is a promising candidate for energy-efficient nonvolatile memory, particularly for logic-in-memory and compute-in-memory (CIM) applications. Among the available cell architectures, One-Transistor–n-Capacitor (1T-nC) and two-transistor–n-capacitor (2T-nC) FeRAMs each offer distinct trade-offs in density, scalability, and reliability. In this work, we present a comparative study of these two architectures under both dimensional scaling ( XY/Z shrinkage) and vertical integration (increasing stacked capacitors per cell). Using technology computer-aided design (TCAD) and circuit-level simulations, we analyze how scaling impacts ferroelectric capacitance, parasitic coupling, and floating-node (FN) dynamics, which together dictate sense margin (SM) and read stability. A key mitigation strategy—floating unselected capacitors—is applied to both architectures, effectively decoupling the SM from the number of stacked capacitors and enabling tractable analysis across scaling regimes. Results show that 1T-nC suffers more from charge sharing with the bitline (BL), while 2T-nC benefits from transistor isolation and stronger low-voltage sensing at the cost of increased area. By systematically evaluating these behaviors across scaling directions, this work establishes the reliability trade-offs of 1T-nC and 2T-nC cells and provides design guidelines for high-density, vertically integrated FeRAM systems.

1T-nC↗
DOE OSTI2024

Durable and High-Performance SOECs Based on Proton Conductors for Hydrogen Production

Proton-conducting solid oxide electrolysis cells (P-SOECs) are a promising technology for cost-effective and efficient production of green hydrogen. Breakthroughs in materials development, optimization of cell structure, and achievement of high performance and durability are essential to significantly increase the commercial competitiveness of these technologies. The main objective of this project is to gain scientific knowledge for the rational design, fabrication, and demonstration of a robust, highly efficient, and low-cost SOEC technology based on a proton-conducting electrolyte membrane for hydrogen production. We focused on better understanding the degradation mechanisms of proton-conducting electrolytes, air electrodes, and catalyst materials under electrolysis mode to develop an effective strategy for rationalizing new materials that are vital for enhancing cell performance and durability. The scope includes enhancing the performance and durability of the electrolyte and electrode materials under realistic operating conditions, developing highly active and robust catalysts to minimize electrode losses while improving tolerance to contaminant poisoning, revealing the mechanism of enhanced activity and stability of the catalyst, and understanding the underlying degradation mechanisms. In addition, various characterization techniques were employed to gain a fundamental understanding of the materials’ behavior and their impact on cell performance, providing vital information to guide materials discovery and cell design. After defect chemistry engineering, the optimized donor and acceptor co-doped electrolytes BaMo/W 0.03 Ce 0.71 Yb 0.26 O 3-δ (BM/W03) showed substantially improved chemical stability against high concentrations of CO 2 and H 2 O compared to the state-of-the-art electrolyte (BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3-δ , BZCYYb1711) while maintaining comparable ionic conductivity and ionic transference number. To bypass the inherent trade-off between conductivity and chemical stability, we fabricated a bi-layer electrolyte composed of BZCYYb1711 coated with a highly-stable thin layer of BaHf 0.83 Yb 0.17 O 3-δ (BHYb). This bi-layer electrolyte displayed excellent chemical stability against high concentration CO 2 ; there was no detectable formation of BaCO 3 after exposure to 97% CO 2 (with 3% H 2 O) at 500 °C for 1000 hours and the rate of degradation in resistance was about 0.4% per 1,000 hours (kh). In contrast, the same BZCYYb1711 electrolyte without a BHYb coating degraded significantly under the same testing conditions; the degradation rate was increased to 5.1%/kh. In addition, a triple conducting air electrode Ba 0.9 Pr 0.1 Hf 0.1 Y0.1Co 0.8 O 3-δ (BPHYC) was developed by heavily doping transition metal ions into a proton-conducting material. This air electrode material, composed of 3 distinct phases, exhibits superior electrocatalytic activity due to the synergistic effect from the three component phases. Moreover, an active and durable catalyst, La 2 Ni 0.5 Fe 0.5 O 4+δ (LNF), was developed, showing excellent catalytic activity and contaminant tolerance, with a degradation rate of only 0.49%/kh when exposed to high concentrations of steam and Cr. Finally, single cells were constructed from the best electrolytes, electrodes, and catalyst coatings developed in this project. These cells demonstrated superior high current density at a given cell voltage, high roundtrip efficiency, and remarkable durability (up to 1000 hours of operation).

08 HYDROGEN↗
DOE OSTI2026

Characterization of Digital Silicon Photomultipliers

Digital Silicon photomultipliers (Digital SiPMs) have become an increasingly viable option for single-photon detection due to their compact size and precise timing and resolution. The following work characterizes the noise performance of a diSiPM designed and tested in-house at Fermilab. The SiPM consists of a 26x32 array of single-photon avalanche diode (SPAD) cells. Through the implementation of a shift register masking circuit, individual SPAD cells can be enabled and disabled at will, allowing for precise detection measurements of single columns (accumulator channels) and cells. The provided circuit design operates on voltage clock pulses and collects data on clock edges allowing for precise tuning of the data collection process by varying the clock frequency, pulse width, and integration period.

Shoemaker, Oliver [U. Chicago (main)]↗
DOE OSTI2024

Exploring thermal runaway propagation in Li-ion batteries through high-speed X-ray imaging and thermal analysis: Impact of cell chemistry and electrical connections

Battery safety design is important to consider from the individual Li-ion cell to the level of the macro-system. On the macro-level, failure in one single cell can lead to propagation of the thermal runaway and rapidly set a whole battery pack on fire. Factors that can impact the propagation outcome, such as cell model/chemistry and electrical connection are here investigated using a combination of measurements. Several abusive tests were conducted, combining two different cell models (Molicel P42A and LG M50, both 21700s) in series and parallel connections (16 tests per configuration). Overall, a propagation outcome of 56% was measured from the 32 conducted tests, a minimum temperature of 150 °C was required to initiate propagation, and the fastest propagation occurred in 123 s. Temperature measurements were higher in series connected cells, initiating the discussion of cell chemistry and internal resistance on this effect. The difference in current-flow during thermal runaway in series and parallel connections, and how this can affect the temperature evolution is further discussed. Spatio-temporal mapping of X-ray radiography allowed us to derive the speed of thermal runaway evolution inside the battery and has shown that series connected cells, in particular P42A, occur faster. It was further observed that deviant sidewall behaviors such as temperature-induced breaches and pressure-induced ruptures occurred in P42As only respective nail-penetrated cells only.

25 ENERGY STORAGE↗
DOE OSTI2024

NMR Database of Lignin and Cell Wall Model Compounds

This database was designed to provide a coherent, single source of NMR data of lignin and other plant cell wall model compounds. The database exists as an Adobe pdf cross-platform file for viewing and printing. This is the latest public version of the Database, version 2024/08 updated from the 2009 version.

cell wall↗
DOE OSTI2024

Superhydrophobic Array Devices for the Enhanced Formation of 3D Cancer Models

During the metastatic cascade, cancer cells travel through the bloodstream as circulating tumor cells (CTCs) to a secondary site. Clustered CTCs have greater shear stress and treatment resistance, yet their biology remains poorly understood. We therefore engineered a tunable superhydrophobic array device (SHArD). The SHArD-C was applied to culture a clinically relevant model of CTC clusters. Using our device, we cultured a model of cancer cell aggregates of various sizes with immortalized cancer cell lines. These exhibited higher E-cadherin expression and are significantly more capable of surviving high fluid shear stress-related forces compared to single cells and model clusters grown using the control method, helping to explain why clustering may provide a metastatic advantage. Additionally, the SHArD-S, when compared with the AggreWell 800 method, provides a more consistent spheroid-forming device culturing reproducible sizes of spheroids for multiple cancer cell lines. Overall, we designed, fabricated, and validated an easily tunable engineered device which grows physiologically relevant three-dimensional (3D) cancer models containing tens to thousands of cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Locally Confined Polysulfide-Reactive Electrolytes for Shuttle-Free Sodium–Sulfur Batteries

Sodium-sulfur batteries promise high-energy-density and sustainable electrochemical energy storage but suffer from uncontrolled polysulfides dissolution and high sodium reactivity. These challenges fundamentally originate from poor electrolyte-electrode compatibility. Current electrolyte research inadequately addresses the trade-off between minimal polysulfides solvation and stabilizing sodium interfaces. Here, we present a locally-confined polysulfide-reactive electrolyte strategy that mediates the polysulfide dissolution dynamics and sodium stability by leveraging an electrophilic solvating species with a localized high-concentration electrolyte. This design enables shuttle-free cell operation by synergistically restricting the global solvating power of the electrolyte through intermolecular interactions and locally scavenging sparingly dissolved polysulfides via electrolyte electrophilicity. The precisely confined surface reaction facilitates a protective cathode-electrolyte interface, realizing a quasi-solid-state sulfur conversion in our liquid ether-based electrolyte, which crucially avoids crossover-induced catastrophic sodium-metal degradation. The proposed electrolyte demonstrates long-term cycling of high-mass-loading sulfur cathodes (> 3 mg S cm −2 with commercial carbon host and 70 wt% sulfur content), which afford 710 mA h g −1 over 400 cycles in coin cells and steady pouch cell operation over 180 cycles. Furthermore, this work establishes a scalable electrolyte design protocol that regulates the reaction chemistry of highly reactive electrodes, offering a pathway toward sustainable renewable energy storage.

25 ENERGY STORAGE↗
DOE OSTI2024

Modeling Rate Dependent Volume Change in Porous Electrodes in Lithium-Ion Batteries

Automotive manufacturers are working to improve individual cell, module, and overall pack design by increasing the performance, range, and durability, while reducing cost. One key piece to consider during the design process is the active material volume change, its linkage to the particle, electrode, and cell level volume changes, and the interplay with structural components in the rechargeable energy storage system. As the time from initial design to manufacture of electric vehicles decreases, design work needs to move to the virtual domain; therefore, a need for coupled electrochemical-mechanical models that take into account the active material volume change and the rate dependence of this volume change need to be considered. In this study, we illustrated the applicability of a coupled electrochemical-mechanical battery model considering multiple representative particles to capture experimentally measured rate dependent reversible volume change at the cell level through the use of an electrochemical-mechanical battery model that couples the particle, electrode, and cell level volume changes. By employing this coupled approach, the importance of considering multiple active material particle sizes representative of the distribution is demonstrated. The non-uniformity in utilization between two different size particles as well as the significant spatial non-uniformity in the radial direction of the larger particles is the primary driver of the rate dependent characteristics of the volume change at the electrode and cell level.

Electrochemistry↗
DOE OSTI2025

Lithium–Sulfur Batteries: 3D Printed Tools and Assembly Techniques for Repeatable Lab-Scale Coin Cell Manufacturing

The coin cell form factor has become a standard in energy storage research owing to its relatively low cost, low quantity of requisite electroactive material, fast experimental turnover, and capability to generate publishable quality data. Coin cell assembly at the lab-scale requires precise manual alignment of the many internal components of a cell to yield a properly functioning device. Truly repeatable device assembly presents a significant challenge to the acquisition of reliable data. In this report, we present a three-dimensional (3D) printable design for a coin cell alignment device and describe techniques for a generalized workflow to achieve reproducible coin cell assembly of lithium-based batteries. Standardized assembly techniques using readily accessible, purpose-built tools were demonstrated for labscale production of lithium−sulfur (Li−S) coin cells. Li−S batteries fabricated using the alignment device as well as conductive adhesive incorporated workflows afforded coin cells with up to 35% reduction of assembly times, comparable or better functional cell yields, and improved electrochemical device performance with more consistent and up to 150 mAh/g higher average discharge capacities coupled with Coulombic efficiency increases of up to 2.0% over manually aligned cell assembly techniques.

Batteries↗
DOE OSTI2024

Material Discovery and Design Principles of Perovskite Oxides for Reversible Solid Oxide Cells (R-SOC)

Reversible solid oxide cells (R-SOCs) are highly efficient devices for energy conversion and storage, capable of operating for both hydrogen utilization and production. In fuel cell mode, an R-SOC consumes hydrogen or natural gas to generate electricity, while in electrolysis mode, it produces hydrogen from steam. The discover of new materials with rapid oxygen surface exchange kinetics and enduring stability is crucial for the economically viable commercialization of R-SOCs. To facilitate this pursuit, we conducted extensive Density Functional Theory (DFT) calculations and developed Machine Learning (ML) models to predict critical catalytic properties essential for R-SOCs, such as oxygen surface exchange/diffusivity, and area-specific resistance (ASR). BaCoxFeyZrzO3-d(BFCZ)(x+y+z=1) emerged as a promising family of electrode materials with high activity and stability, validated through systematic experimental study. Moreover, a robust numerical multiphysics model was developed to optimize materials and microstructure parameters, providing the ability to predict the performance of functional R-SOCs.

Liu, Jian↗
DOE OSTI2024

Transcriptional response of Methanosarcina acetivorans to repression of the energy-conserving methanophenazine: CoM-CoB heterodisulfide reductase enzyme HdrED

ABSTRACT Methane-producing archaea are key organisms in the anaerobic carbon cycle. These organisms, also called methanogens, grow by converting substrate to methane gas in a process called methanogenesis. Previous research showed that the reduction of the terminal electron acceptor is the rate-limiting step in methanogenesis by Methanosarcina acetivorans . In order to gain insight into how the cells sense and respond to the availability of the terminal electron acceptor, we designed an experiment to deplete cells of the essential terminal oxidase enzyme, HdrED. We found that the depletion of HdrED in vivo results in a higher abundance of transcripts for methyltransferases ( mtaC2, mtaB3, mtaC3 ), coenzyme B biosynthesis, C1 metabolism, and pyrimidine compounds. In most cases, these changes were distinct from transcript abundance changes observed during the transition from exponential growth to stationary phase cultures. These data implicate the methylotrophic methanogenesis regulator MsrC (MA4383) in CoM-S-S-CoB heterodisulfide sensing and indicate cells have a specific mechanism to sense intracellular ratio of CoM-S-S-CoB, coenzyme M, and coenzyme B thiols and further suggest transcripts encoding translation and methanogenesis functions are controlled by feed-forward regulation depending on substrate availability. IMPORTANCE Methanosarcina is an emerging model archaeon and synthetic biology platform for the production of renewable energy and sustainable chemicals to reduce dependence on petroleum. Research into metabolic networks and gene regulation in this organism and other methanogens will inform genome-scale metabolic modeling and microbial function prediction in uncultured or non-model anaerobes and archaea. This study suggests methanogens use unknown mechanisms to efficiently couple methanogenesis to gene regulation via CoM-S-S-CoB and ATP availability.

Buan, Nicole R. (ORCID:000000027560973X)↗
DOE OSTI2025

A harmonized protocol to assess the single-cell performance of proton exchange membrane water electrolyzers

The harmonization of testing protocols for proton exchange membrane (PEM) electrolyzers is essential for ensuring accurate and reliable performance assessments and accelerating the development of hydrogen production technologies. This protocol provides a structured approach to PEM electrolyzer setup and testing, incorporating key considerations for test station design and single-cell characterization techniques. Polarization curves and electrochemical impedance spectroscopy (EIS) are detailed, along with best practices from academic and industry research groups to enhance data accuracy and comparability. By addressing material variability and harmonizing testing methodologies, this framework enables more precise evaluations of membrane electrode assemblies and electrolyzer components. Harmonized protocols not only streamline development efforts but also foster collaboration across institutions, ultimately supporting the commercialization of hydrogen solutions through improved stack efficiency and durability.

08 HYDROGEN↗