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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Design of non-fluorinated proton exchange membranes from Poly(Terphenyl fluorenyl isatin) with fluorene-linked sulfonate groups and microblock structures

Proton exchange membranes (PEMs) are essential components in energy storage and conversion devices, such as fuel cells and electrolyzers. Here, in this study, we developed a series of non-fluorinated PEMs from poly(terphenyl fluorenyl isatin) with fluorene-pendent disulfonate groups. These polymers feature a microblock structure composed of hydrophobic blocks, hydrophilic blocks, and alternating blocks, arising from the differences in reactivity, concentration, and solubility between the hydrophobic p-terphenyl and hydrophilic disulfonated fluorene monomers. As a result, the sulfonic acid groups are unevenly distributed along the polymer chains, forming densely charged regions (IEC = 3.52 meq/g) with large ion clusters and lightly charged regions (IEC = 2.16 meq/g) with small ion clusters. This microstructure, combined with the degree of sulfonation, significantly influences the overall properties of the membranes, including robust mechanical strength (47.1–63.2 MPa), high thermal stability (up to 270 °C), low swelling ratio (18–25% at 80 °C), and high proton conductivity (136–169 mS/cm in deionized water at 80 °C). The PFLSH60 membrane demonstrated comparable fuel cell performance to Nafion 212. Its hydrogen crossover current density was more than two times lower (0.86 mA/cm 2 for PFLSH60 compared to 1.83 mA/cm 2 for Nafion 212) under testing conditions of 80 °C and 100% RH. This significantly reduced crossover improves fuel utilization in fuel cell stacks. This work offers valuable insights into the design of robust, high-performance PEMs by systematically analyzing the relationships between membrane structure, properties, and performance.

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

Ether Cleavage Decreases the Ion Exchange Capacity of Anion Exchange Membranes

Anion exchange membranes (AEMs) are integral to fuel cells and water electrolysis systems but suffer from poor durability under alkaline conditions. Ether cleavage is an important failure pathway of poly(arylene ether)-based AEMs that compromises both mechanical stability and ion transport. While this degradation pathway is often studied in terms of polymer fragmentation, the role of newly formed hydrophilic groups has been largely overlooked. Here, we show that polymer scission leads to reduced mechanical rigidity, while the introduction of hydrophilic groups partially mitigates this loss. Under alkaline conditions, phenoxide groups formed during ether cleavage neutralize the polymer cations, leading to a previously unreported loss of ion exchange capacity (IEC). This IEC loss mechanism exacerbates the reduction in ionic conductivity, emphasizing the severity of ether cleavage as a degradation pathway. Recognizing that ether cleavage introduces significant chemical changes beyond polymer fragmentation provides critical insights into its interplay with other degradation mechanisms, such as the direct reduction of cationic sites by E2 and S N 2, and provides molecular-level interpretations for the concurrent effects of polymer scission and increased hydrophilicity on membrane performance.

crystal cleavage↗
DOE OSTI2024

Degradation of Anion Exchange Membranes by Cation Elimination: Impact on Water Uptake, Nanostructure, and Ionic Mobility

Anion exchange membranes (AEMs) are an attractive platform for fuel cell and electrolysis technologies since they enable the use of cheaper, nonplatinum group metal electrodes and components. However, the widespread adoption of AEM-based devices is limited by chemical degradation of the AEM in the highly alkaline medium of operation. Experimental studies report three major pathways of degradation, including substitution (S N 2), elimination (E2), and backbone cleavage. The decline in membrane performance is likely due to a cumulative effect of several pathways, which has proven to be difficult to disentangle through experiments. Here we use coarse-grained molecular simulations to isolate the impact of E2 degradation, where cationic sites are replaced by an alkene group, on AEM water uptake, nanoscale morphology, structure of the ion-conducting channels, water mobility, and ionic conductivity. Our studies focus on the well-studied model AEM polyphenylene oxide with tetraalkylammonium cationic sites (PPO-TMA). We find that about half of the hydrophobic groups resulting from the degradation retract into the hydrophobic domains of the membrane. The reduction in ion exchange capacity (IEC) and the hydrophobicity of the alkene groups decrease both the equilibrium water uptake (%WU) and the number of water molecules per cation (λ) of the membrane. Interestingly, the evolution of λ with the IEC seems to follow that of undegraded PPO-TMA membranes. Additionally, we ascribe this to the similarity between the structure of the degraded monomer and the neutral one in the polymer. We conclude that most of the performance losses originate in the lower hydration of the degraded membrane.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of Sulfonation Level on the Percolated Morphology and Proton Conductivity of Hydrated Fluorine-Free Copolymers: Experiments and Simulations

Using all-atom molecular dynamics simulations and a variety of experimental methods, we previously reported on a linear polyethylene with pendant phenyl sulfonated groups precisely on every fifth carbon along the backbone. With increasing relative humidity this fluorine-free polymer self-assembled to form nanoscale water channels and exhibited exceptional proton conductivity. Expanding upon those findings, here we explore partially sulfonated random copolymers, referred to as p 5PhSH-Y. Using either acetyl sulfate or sulfuric acid, a wide range of sulfonation levels were prepared ( Y = 34−98%) corresponding to ion-exchange capacities (IEC) of 2.0−4.4 mmol/g. Combining experimental techniques and all-atom molecular dynamics simulations, we study the effect of Y on water uptake, nanoscale morphology, and the proton/water transport properties of p5PhSH- Y . The proton conductivity of p 5PhSH- Y increases with relative humidity and with Y and achieves values in excess of 0.1 S/cm. These high conductivities are attributed to high IEC and welldeveloped nanoscale percolated hydrophilic domains made possible by the flexible backbone. We quantitatively describe the nature of the water channels using the characteristic distance, channel width distribution, the area per sulfonate group at the hydrophilic/ hydrophobic interface, and the fractal dimension. Notably, the channel widths and the areas per sulfonate group are nominally independent of the level of sulfonation, while depending significantly on the level of hydration. The fractal dimension of the water channels correlates strongly with the water diffusion coefficients calculated from the molecular dynamics (MD) simulations. These findings demonstrate that the p 5PhSH- Y hydrocarbon copolymers can be modified to tune properties, particularly proton conductivity.

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

THz generation by exchange-coupled spintronic emitters

Abstract The mechanism of THz generation in ferromagnet/metal (F/M) bilayers has been typically ascribed to the inverse spin Hall effect (ISHE). Here, we fabricated Pt/Fe/Cr/Fe/Pt multilayers containing two back-to-back spintronic THz emitters separated by a thin ( t Cr ≤ 3nm) wedge-shaped Cr spacer. In such an arrangement, magnetization alignment of the two Fe films can be controlled by the interplay between Cr-mediated interlayer exchange coupling (IEC) and an external magnetic field. This in turn results in a strong variation of the THz amplitude A , with A ↑ ↓ reaching up to 14 times A ↑ ↑ (arrows indicate the relative alignment of the magnetization of the two magnetic layers). This observed functionality is ascribed to the interference of THz transients generated by two closely spaced THz emitters. Moreover, the magnetic field dependence A ( H ) shows a strong asymmetry that points to an additional performance modulation of the THz emitter via IEC and multilayer design.

Adam, Roman↗
DOE OSTI2024

Critical design load case fatigue and ultimate failure simulation for a 10-m H-type vertical-axis wind turbine

While previous studies investigating critical VAWT design load cases have focused on large and relatively flexible Darrieus designs, the bulk of current commercial products seeking certification fall in the relatively small, stiff, and H-type configuration, such as the XFlow Energy Corporation turbine that this study compares against. Understanding the critical design load case impacts for both fatigue and ultimate failure for this size and type of VAWT are imperative for certification. The abil

Brownstein, Ian↗
DOE OSTI2024

ChatGPT and Other Large Language Models for Cybersecurity of Smart Grid Applications

Cybersecurity breaches targeting electrical substations constitute a significant threat to the integrity of the power grid, necessitating comprehensive defense and mitigation strategies. Any anomaly in information and communication technology (ICT) should be detected for secure communications between devices in digital substations. This paper proposes large language models (LLMs), e.g., ChatGPT, for the cybersecurity of IEC 61850-based communications. Multi-cast messages such as generic object oriented system events (GOOSE) and sampled values (SV) are used for case studies. The proposed LLM-based cybersecurity framework includes, for the first time, data pre-processing of communication systems and human-in-the-loop (HITL) training (considering the cybersecurity guidelines recommended by humans). The results show a comparative analysis of detected anomaly data carried out based on the performance evaluation metrics for different LLMs. A hardware-in-the-loop (HIL) testbed is used to generate and extract a dataset of IEC 61850 communications.

ChatGPT↗
DOE OSTI2026

SDN-Based Smart Cyber Switching (SCS) for Cyber Restoration of a Digital Substation

In recent years, critical infrastructure and power grids have increasingly been targets of cyber-attacks, causing widespread and extended blackouts. Digital substations are particularly vulnerable to such cyber incursions, jeopardizing grid stability. This paper addresses these risks by proposing a cybersecurity framework that leverages software-defined networking (SDN) to bolster the resilience of substations based on the IEC- 61850 standard. The research introduces a strategy involving smart cyber switching (SCS) for mitigation and concurrent intelligent electronic device (CIED) for restoration, ensuring ongoing operational integrity and cybersecurity within a substation. The SCS framework improves the physical network’s behavior (i.e., leveraging commercial SDN capabilities) by incorporating an adaptive port controller (APC) module for dynamic port management and an intrusion detection system (IDS) to detect and counteract malicious IEC-61850-based sampled value (SV) and generic object-oriented system event (GOOSE) messages within the substation’s communication network. The framework’s effectiveness is validated through comprehensive simulations and a hardware-in-the-loop (HIL) testbed, demonstrating its ability to sustain substation operations during cyber-attacks and significantly improve the overall resilience of the power grid.

Liu, Chen-Ching (ORCID:0000000289417958)↗
DOE OSTI2025

GridSTIX

SF-25-112 Grid-STIX is a comprehensive extension of the STIX (Structured Threat Information Expression) 2.1 ontology specifically designed for electrical grid cybersecurity applications. This ontology provides a standardized, machine-readable framework for modeling grid assets, operational technology devices, threats, vulnerabilities, supply chain risks, and security relationships in electrical power systems. ## Key Features - **Comprehensive Grid Coverage**: Physical assets, OT devices, grid components, sensors, and energy storage systems - **Zero Trust Architecture**: Policy decision points, enforcement points, trust brokers, and continuous monitoring - **AMI Infrastructure**: Advanced metering networks, head-end systems, mesh gateways, and MDM systems - **Advanced Security Modeling**: Attack patterns, vulnerabilities, mitigations, and supply chain risks - **Critical Grid Relationships**: Power flow, protection, control, and synchronization relationships - **Supply Chain Security**: Supplier modeling, country of origin tracking, and risk assessment - **Protocol Support**: DNP3, Modbus, IEC 61850, IEC 60870-5-104, OPC-UA, and IEEE standards - **Python Code Generation**: Automated STIX-compliant Python class generation from ontologies - **Interactive Visualization**: Enhanced HTML network graphs with grid-specific categorization - **STIX 2.1 Compliance**: Full compatibility with STIX threat intelligence ecosystem

Blakely, Benjamin [Argonne National Laboratory (AN↗
DOE OSTI2026

Bipolar Membranes Electrodialysis for Water Purification and Resource Recovery

Reverse osmosis concentrate (ROC) from inland brackish water desalination and wastewater recycling presents moderate salinity, posing significant challenges for treatment and disposal. Existing treatment technologies predominantly rely on energy-intensive thermal methods, large-area evaporation strategies, or deep-well disposal, which often result in the loss of water value. Electrified membrane brine treatment offers a promising alternative by utilizing renewable energy sources, enabling complete water recycling. This work proposes the development of next-generation bipolar membrane electrodialysis (BMED) systems capable of desalinating brine while simultaneously recovering valuable resources. However, several critical challenges remain in the areas of membrane engineering for BMED. These include: 1) decreased current efficiency during desalination due to the low conductivity of feed chambers, 2) fouling and scaling from multivalent ions and contaminants in the feed, and 3) the retention and carryover of ROC contaminants, including PFAS compounds. Our research focuses on the development of novel anion exchange membranes (AEMs) and cation exchange membranes (CEMs) based on synthesized multiblock copolymers. We investigate the effects of block length, ion exchange capacity (IEC), and polymer backbone structure on cation and anion transport (e.g., Na+, Cl-, OH-, H+) for both our synthesized membranes and commercial membranes. Fundamental properties of these membranes, such as water uptake, IEC, and ionic conductivity, are also evaluated to optimize performance for BMED applications.

08 HYDROGEN↗
DOE OSTI2025

Diagnosis of PV Cell Antireflective Coating Degradation Resulting from Hot-Humid, High Voltage Potential Aging

Corrosion of the antireflective coating on a photovoltaic cell ("ARc corrosion") has previously been observed in studies using hot-humid test conditions with external high-voltage (HV) bias. This study primarily focuses on known vulnerable, legacy aluminum back surface field (Al-BSF) cells in mini-modules (MiMos) put through comparative stepped stress tests. Each cell type had MiMos at +1500 V, -1500 V, or unbiased ("Voc") potential, which were sequentially subjected to test conditions of 60deg C/60% relative humidity (RH) for 96 h, as in International Electrotechnical Commission (IEC) Technical Specification 62804-1; 70 deg C/70% RH for 200 h; and 85 deg C/85% RH for 200 h. Characterizations at each step included visual camera and electroluminescence (EL) imaging, colorimetry, and current-voltage (I-V) curve tracing. Final characterizations included: Suns-Voc; spatial mapping of external quantum efficiency (EQE); high-resolution photoluminescence (PL), EL, and dark lock-in thermography (DLIT) imaging. Forensics were performed on extracted cores, including scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and scanning Auger microscopy (SAM). Forensics were also conducted on MiMos from previous studies that underwent stepped HV aging and separate outdoor aged full-sized modules. ARc corrosion was specifically seen for the glass/encapsulant/cell side of the +1500V (HV+) stressed MiMos and modules. Appearance, color, and reflectance were the most distinguishing characteristics relative to glass corrosion, gridline-corrosion and -delamination as well as other concurrent degradation modes. SEM/EDS and SAM identified conversion of silicon nitride to hydrated silica, hydrous silica, or hydrated amorphous silica, which preferentially occurred at the edges and tips of the pyramidal textured cell surface.

14 SOLAR ENERGY↗
DOE OSTI2026

Evaluations of Connectors, Inlets, and Adapters on Side-Load and Withstand Force

This report examines the mechanical forces that direct current fast charging (DCFC) electric vehicle supply equipment (EVSE) connectors and electric vehicle (EV) inlet ports experience during normal usage. As we witness the fast and growing variety of EVs, charge port locations, and bigger and more powerful EVSE configurations including the SAE J3400 North American Charging Standard (NACS), which has increased the use of adapters with J3400 and J1772 compatibility. These new conditions contribute to increased mechanical forces due to their size, weight and lever arm effect, which creates the need to study and compare these forces to the limits on UL2251 and IEC 62196-1 standards. This report focuses solely on high power DC charging EVSE connectors, EV inlets and adapters for the specific compatibility cases on J3400 with J1772. We first describe the details of the 100N and the 750N side-load evaluations as described in the standards, then present the data obtained by replicating these tests to finally go into more detail on the findings and our recommendations.

100N↗
DOE OSTI2025

In‐Scribe Silane Bonding for Mechanical Reinforcement of Perovskite Photovoltaic Modules

Despite the extraordinary rise in power conversion efficiency over the last decade, metal halide perovskite (MHP) photovoltaics remain more mechanically fragile than other PV technologies. In this work, the scribe area, created by the monolithic interconnection of thin-film solar cells, is used to extrinsically reinforce the mechanical robustness of packaged MHP solar modules. In contrast to the epoxy-based chemistries often leveraged in the MHP literature, silane-grafted polyolefin encapsulants are designed to form strong covalent bonds to oxide surfaces, specifically to glass and the transparent conductive oxide at the base of the scribe line. Pseudo-modules encapsulated with silane-grafted polyolefin are measured with more than an order-of-magnitude enhancement infracture energy from 0.27 ± 0.01 J·m −2 (no scribes) to 5.97 ± 0.42 J·m −2 (scribes perpendicular to delamination directioncovering ≈2.2% of the module area). The silane-grafted polyolefin retains strong adhesion even after undergoing an accelerated IEC 61215 thermal cycling test consisting of 250 cycles. We find that the in-scribe bonding allows perovskite modules to have adhesion strength comparable to commercial c-Si and CdTe technologies with only 5% reduction in the active module area. This manufacturing-compatible approach offers a practical solution to address the mechanical integrity challenges in MHP solar modules, regardless of cell architecture.

14 SOLAR ENERGY↗
DOE OSTI2025

Synthesis of highly sulfonated 2,6-diphenyl-p-Phenylene oxide: A highly conductive membrane

Highly sulfonated aromatic polymers are desired for the possible highest performance of polymer electrolytes in fuel cells and electrolyzer applications. Here, we reported the method to prepare highly sulfonated 2,6-diphenyl-p-phenylene oxide (SP3O), a commercially available aromatic polymer, with the highest IEC of 4.42 meq/g. Three sulfonation reagents including chlorosulfonic acid (HSO3Cl), concentrated sulfuric acid (conc. H2SO4), and trimethylsilyl chlorosulfonate (TMSCS) were investigated for single and two-step sulfonation reactions. In addition, DMSO-assisted thermal crosslinking method was applied to prepare crosslinked SP3O membranes to improve their mechanical strength and film-forming ability. Proton exchange membrane from crosslinked SP3O displayed a proton conductivity as high as 250 mS/cm at 95 % RH and 60 °C.

Khomein, Piyachai↗
DOE OSTI2025

Design of robust and versatile hydrocarbon-based single-ion-conducting polymer electrolytes

Hydrocarbon-based polymers offer several advantages, including lower environmental impacts, cost effectiveness, and the ability to finely tune properties. Here, we have developed trifluoromethanesulfonimide (TFSI)-functionalized poly(norbornene) (PNB) polymers utilizing a specifically designed oxa-Michael addition of a vinyl TFSI anion to an alcohol. Our results reveal that PNB-TFSI derivatives exhibit superior thermal stability and mechanical robustness compared with Nafion. The optimized PNB-TFSI-H-48 polymer (IEC 1.86 mmol/g) exhibits equivalent performance to Nafion as an anode ionomer in a proton exchange membrane fuel cell. Exchanging the counter ion to Li + enables PNB-TFSI to be used for Li-ion battery applications. Propylene carbonate plasticized PNB-TFSI derivatives achieve an Li-ion conductivity of over 10 −5 S/cm at 30°C. This Li polymer electrolyte exhibits excellent electrochemical stability (5 V vs. Li + /Li) and good cycling in a Li symmetric cell. These results highlight the potential and rational design of PNB-TFSI polymers for next-generation energy storage and conversion technologies.

08 HYDROGEN↗
DOE OSTI2026

CO 2 Sorption in Moisture Swing Anion Exchange Resins for Direct Air Capture: Experimental Isotherm Determination and Modeling

Moisture swing (MS) sorption is a promising direct air capture (DAC) technology to achieve negative CO 2 emissions and counter global warming. Here, in this study, MS CO 2 sorption in a model MS sorbent, IRA900, was investigated. IRA900 is a macroporous commercial strong-base anion exchange resin (AER) with quaternary ammonium functional groups. A rigorous CO 2 desorption process was developed to desorb all CO 2 from the sample and obtain CO 2 sorption isotherms as a function of relative humidity, CO 2 partial pressure, and temperature. CO 2 sorption increased with decreasing relative humidity, decreasing temperature, and increasing CO 2 partial pressure. Remarkably, the total CO 2 uptake from the sorption isotherms matched the ion exchange capacity (IEC) of the material, suggesting a stoichiometry of one CO 2 molecule reacting per active site. An isotherm model for CO 2 sorption starting with empty sorption sites (i.e., with the AER in the OH – form) described the experimental data well, supporting the hypothesis that the bicarbonate-loaded AER fully unloaded to the OH – state following rigorous CO 2 desorption. CO 2 sorption kinetics were studied, and carbon diffusion coefficients were estimated as a function of %RH and CO 2 partial pressure. Overall, this study provides a roadmap for the systematic evaluation of MS CO 2 DAC materials.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Origins of Enhanced Ion Transport in Nanostructured Anion-Conducting Polyelectrolytes

Ion-conducting polymer chemistry and microstructure profoundly impact membrane water uptake and ionic conductivity. Water uptake strongly impacts ionic conductivity; yet excess water uptake compromises ion-exchange membrane mechanical properties. Although nanophase separation has been proposed to overcome this trade-off, it is unclear how polymer backbone architecture governs ionic nanostructure and its subsequent impact on water uptake and conductivity. Here, we integrate experiments and molecular dynamics simulations to elucidate the role of backbone chemistry in governing ionic nanostructure, hydration behavior, and ion transport in anion-conducting polyelectrolytes (ACPs). We systematically investigate hydrocarbon polynorbornene (PNB)-based ACPs with three distinct backbone architectures: vinyl-addition polymerization (VAP), ring-opening metathesis polymerization (ROMP), and hydrogenated ROMP. While maintaining comparable ion exchange capacities (IECs) and identical side-chain chemistry, we isolate the effects of backbone structure. We show that nanophase-separated ionic nanostructures originate in the dry state and evolve upon hydration through heterogeneous water uptake, with water preferentially partitioning into ion-rich domains. This nanophase separation arises from a delicate interplay between ionic segregation propensity and the entropic barrier imposed by backbone stiffness. Specifically, flexible backbones intensify attractive ion–ion interactions by reducing the entropic penalty for backbone deformation, promoting nanophase separation, while rigid backbones suppress ionic nanostructure formation. Nanophase-separated ion domains locally concentrate water upon hydration, which in turn enables the connectivity required for fast transport at lower water concentration values. Furthermore, these findings demonstrate that backbone chemistry can be tuned as a design lever to promote nanophase separation and enhance ion transport without excessive water uptake.

Anions↗
DOE OSTI2025

Incorporating long-range dependence and fractal features in turbulence spectra

We introduce an advanced turbulence spectrum model developed from mathematical foundations from a covariance function class and empirically validated using extensive field data. This model captures the complex dynamics of long-range dependence, and fractal characteristics prevalent in riverine and atmospheric boundary layer (ABL) flows that are ignored by classical spectrum models, such as IEC (International Electrotechnical Commission) von Kármán and Kaimal model. The model delineates scaling behaviors across distinct frequency bands and offers substantial flexibility through five well-defined parameters each characterizing a distinct physical aspect of the velocity time series. A detailed procedure for obtaining each parameter from time series data is outlined. The comprehensive validations with field data from tidal currents and ABL flows substantiate the model’s fidelity in accurately replicating observed phenomena. This validation establishes the reliability of the proposed model and, when incorporated into stochastic full-field simulators such as TurbSim, demonstrates its potential to advance the predictive modeling and analysis of turbulent flows in environmental science and engineering contexts.

Cheng, Shyuan [Univ. of Illinois at Urbana-Champai↗