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DOE OSTI2026

Conformational Isomerization of Imide Anions Governs Solvation and Transport in Water-in-Salt Electrolytes

The behavior of highly concentrated electrolytes departs radically from the dilute-solution theory, yet the molecular origin of this transformation remains unresolved. Here, we identify the conformational isomerization of molecular ions as a decisive, previously unrecognized control parameter governing structure and transport in crowded aqueous electrolytes. Across a series of fluorosulfonimide anions, we show that increasing concentration drives a collective shift from extended transoid to compact cisoid conformers, revealed by small-angle X-ray scattering, vibrational spectroscopy, pulsed-field gradient NMR, and molecular dynamics simulations. This conformational transition triggers a collapse of the hydrogen-bonded water network and the emergence of densely packed ionic domains with confined water, producing a qualitative change in Li+ transport from solvent-mediated diffusion to network-confined hopping. Anion size and asymmetry systematically tune the onset of this transition, demonstrating that molecular geometry dictates mesoscale organization and dynamics in the ion-rich regime. Our results establish ion conformation, not merely composition or coordination, as a fundamental thermodynamic variable in concentrated solutions, providing a chemical framework that unifies solvation structure and transport in water-in-salt electrolytes and suggesting new principles for designing dense ionic media.

Nguyen, Huong TD↗

DOE OSTI2024

Making Plasticized Polymer Electrolytes Stable Against Sodium Metal for High‐Energy Solid‐State Sodium Batteries

Solid polymer electrolytes based on plastic crystals are promising for solid-state sodium metal (Na 0 ) batteries, yet their practicality has been hindered by the notorious Na 0 -electrolyte interface instability issue, the underlying cause of which remains poorly understood. Here, in this study, by leveraging a model plasticized polymer electrolyte based on conventional succinonitrile plastic crystals, we uncover its failure origin in Na 0 batteries is associated with the formation of a thick and non-uniform solid electrolyte interphase (SEI) and whiskery Na 0 nucleation/growth. Furthermore, we design a new additive-embedded plasticized polymer electrolyte to manipulate the Na 0 deposition and SEI formulation. For the first time, we demonstrate that introducing fluoroethylene carbonate (FEC) additive into the succinonitrile-plasticized polymer electrolyte can effectively protect Na 0 against interfacial corrosion by facilitating the growth of dome-like Na 0 with thin, amorphous, and fluorine-rich SEIs, thus enabling significantly improved performances of Na//Na symmetric cells (1,800 h at 0.5 mA cm −2 ) and Na//Na 3 V 2 (PO 4 ) 3 full cells (93.0 % capacity retention after 1,200 cycles at 1 C rate in coin cells and 93.1 % capacity retention after 250 cycles at C/3 in pouch cells at room temperature). Our work provides valuable insights into the interfacial failure of plasticized polymer electrolytes and offers a promising solution to resolving the interfacial instability issue.

25 ENERGY STORAGE↗

NASA NTRSDate not supplied

Effects of Motion Fidelity on Pilot Performance Using Mixed-Reality Visuals

This paper investigates the effects of simulator motion fidelity on pilot performance using mixed-reality visuals. In NASA’s Vertical Motion Simulator, eleven pilots flew a lift-plus-cruise electric vertical takeoff and landing vehicle in a vertiport approach and landing task with four different motion conditions: no motion, small hexapod motion, large hexapod motion, and full motion. The simulator motion condition statistically significantly affected: 1) the severity of cybersickness, 2) motion ratings, 3) final approach and take-off boundary crossing groundspeed, 4) longitudinal touchdown point, and 5) battery time remaining after landing. The findings suggest that motion systems are essential in simulators with virtual- or mixed-reality visuals when it is required to have pilot flying performance similar to that in real flight.

mixed reality↗

DOE OSTI2026

Techno-Economic Evaluation of Electrified Vehicle Options in Drayage Fleets

The electrification of drayage fleets offers potential economic and operational benefits, but the financial viability of electrified vehicles remains sensitive to battery cost, energy price, and fleet usage patterns. While total cost of ownership (TCO) is a useful benchmark, fleet operators and investors are equally concerned with investment performance metrics such as payback period (PB) and Internal Rate of Return (IRR), which better reflect financial risks and investment return timelines. This study develops a unified techno-economic framework that jointly evaluates TCO, PB, and IRR to determine when electrified trucks become cost-effective alternatives to diesel trucks. Building on a previously developed cost modeling tool and using real-world telematics data from a Class 8 drayage fleet at the Port of Savannah, the analysis incorporates projected battery cost trajectories, electricity and diesel price trends, vehicle efficiency improvements, and multiple battery capacities. Parameter ranges reflect widely cited projections and observed drayage-duty-cycle variability. A surrogate-modeling method approximates economic performance across thousands of battery cost–electricity price combinations, enabling high-resolution identification of conditions that achieve TCO parity, acceptable PB thresholds, and target IRR levels. Additionally, the study estimates the evolving share of the fleet that can feasibly electrify over time under multiple economic metrics. This integrated framework offers a novel, data-driven approach to inform risk-aware decision-making for fleet electrification and supports investment planning under evolving cost and operational conditions.

Sun, Ruixiao [ORNL] (ORCID:0000000341768676)↗

DOE OSTI2026

Computational simulation of asymmetric phase transformation in cracked Li₇La₃Zr₂O₁₂: Variant selection and chemo-mechanical implications

Coupling between microcracks and phase transformation in ion-conducting ceramics can jointly affect mechanical responses and ion transport. In this work we investigate the cubic-to-tetragonal phase transformation in Li₇La₃Zr₂O₁₂ in the presence of a microcrack under hydrostatic loading and quantify its implications for crack-tip stress concentration and Li-ion transport using phase-field and molecular dynamics simulations. The phase transformation exhibits a strong asymmetry between hydrostatic tension and compression. Under tension, the crack edge nucleates one tetragonal variant that amplifies the crack-tip stress intensity and promotes crack opening. Under compression, the crack tip nucleates a different tetragonal variant that enhances the stress-induced crack-closure tendency. Effective Li diffusivity analysis shows faster transport degradation under compression due to accelerated transformation kinetics, exposing a trade-off between mechanical stability and ionic conductivity. These results highlight the intertwined nature of cracking, phase transformation, and ionic transport in ion-conducting oxides and provide mechanistic insights into chemo-mechanical degradation of solid electrolytes.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Intrinsically Conductive {pi}‑d Conjugated Layers with Co–N4 Active Sites for Efficient Nitrate Electrocatalysis and Zinc-Nitrate Batteries

Electrochemical synthesis of ammonia from nitrate has been extensively investigated as a potential alternative to the energy-intensive Haber-Bosch process. This approach not only operates under ambient conditions but also simultaneously removes nitrate contaminants while producing ammonia as a value-added product. However, the ongoing quest lies in designing an efficient electrocatalyst that achieves a high ammonia yield rate, high selectivity, and long-term stability. Herein, we report the outstanding performance of a Co–N4 coordinated π-d layered Co3(HITP)2 (HITP = 2,3,6,7,10,11-hexaiminotriphenylene) in nitrate electrocatalysis. The unique combination of abundant Co–N4 active sites and superior electrical conductivity enables significant electrocatalytic activity, delivering a maximum ammonia yield rate of 56.8 mg cm–2 h–1 at −0.8 V vs RHE and a Faradaic efficiency of ∼91% at −0.4 V vs RHE. Mechanistic analysis reveals that alkaline conditions accelerate water dissociation to generate adsorbed hydrogen intermediates (H*), which are utilized by Co–N4 sites to drive the stepwise hydrogenation of nitrate to ammonia while suppressing competing hydrogen evolution reaction (HER) pathways. Furthermore, integration of this catalyst into a zinc-nitrate battery resulted in a maximum power density of 5.3 mW cm–2 and an open-circuit potential of ∼1.45 V. These results highlight the potential of π-d conjugated Co–N4 materials as an efficient catalyst for both environmental remediation and energy conversion.

Namvar, shahrirar↗

DOE OSTI2025

First in operando transient grating spectroscopy measurements on tungsten during high flux plasma operation in PISCES-RF

This work details the construction and first in operando transient grating spectroscopy measurements conducted on PISCES-RF during plasma operation. A preliminary study on a tungsten sample with varied plasma species (Ar and D 2 ), ion flux (4 × 10 21 to 6 × 10 22 ion/m 2 /s), ion energy (5 to 80 eV), and surface temperature (20 to 200 °C) is presented. Prior to plasma exposure, the thermal diffusivity and surface acoustic wave (SAW) speed, (6.9 ± 0.2) × 10 −5 m 2 /s and (2.66 ± 0.02) km/s, were measured in situ with a thermal grating period of 12.5 μm. During Ar plasma exposure, these two quantities vary according to the sample surface temperature. At low flux and varied ion energy, D 2 plasma exposure also results in thermal diffusivity and SAW speed varying with surface temperature alone. At high flux, D 2 plasma exposure results in no convincing change to the thermal diffusivity, but the SAW speed is reduced. After returning to 20 °C, post plasma exposures, the thermal diffusivity and SAW speed almost recover to the initial value prior to exposure.

Surface acoustic wave SAW↗

DOE OSTI2024

Lanthanum-Promoted Electrocatalyst for the Oxygen Evolution Reaction: Unique Catalyst or Oxide Deconstruction?

A conventional performance metric for electrocatalysts that promote the oxygen evolution reaction (OER) is the current density at a given overpotential. However, the assumption that increased current density at lower overpotentials indicates superior catalyst design is precarious for OER catalysts in the working environment, as the crystalline lattice is prone to deconstruction and amorphization, thus greatly increasing the concentration of catalytic active sites. We show this to be the case for La 3+ incorporation into Co 3 O 4 . Powder X-ray diffraction (PXRD), Raman spectroscopy and extended X-ray absorption fine structure (EXAFS) reveal smaller domain sizes with decreased long-range order and increased amorphization for La-modified Co 3 O 4 . This lattice deconstruction is exacerbated under the conditions of OER as indicated by operando spectroscopies. The overpotential for OER decreases with increasing La 3+ concentration, with maximum activity achieved at 17% La incorporation. HRTEM images and electron diffraction patterns clearly show the formation of an amorphous overlayer during OER catalysis that is accelerated with La 3+ addition. O 1s XPS spectra after OER show the loss of lattice-oxide and an increase in peak intensities associated with hydroxylated or defective O-atom environments, consistent with Co(O) x (OH) y species in an amorphous overlayer. Furthermore, our results suggest that improved catalytic activity of oxides incorporated with La 3+ ions (and likely other metal ions) is due to an increase in the number of terminal octahedral Co(O) x (OH) y edge sites upon Co 3 O 4 lattice deconstruction, rather than enhanced intrinsic catalysis.

Catalysts↗

NASA NTRS1994

Bipolar Ag-Zn battery

The silver-zinc (AgZn) battery system has been unique in its ability to safely satisfy high power demand applications with low mass and volume. However, a new generation of defense, aerospace, and commercial applications will impose even higher power demands. These new power demands can be satisfied by the development of a bipolar battery design. In this configuration the power consuming, interelectrode current conductors are eliminated while the current is then conducted via the large cross-section electrode substrate. Negative and positive active materials are applied to opposite sides of a solid silver foil substrate. In addition to reducing the weight and volume required for a specified power level, the output voltage performance is also improved as follows. Reduced weight through: elimination of the plastic cell container; elimination of plate leads and intercell connector; and elimination of internal plate current collector. Increased voltage through: elimination of resistance of current collector; elimination of resistance of plate lead; and elimination of resistance of intercell connector. EPI worked previously on development of a secondary bipolar silver zinc battery. This development demonstrated the electrical capability of the system and manufacturing techniques. One difficulty with this development was mechanical problems with the seals. However, recent improvements in plastics and adhesives should eliminate the major problem of maintaining a seal around the periphery of the bipolar module. The seal problem is not as significant for a primary battery application or for a requirement for only a few discharge cycles. A second difficulty encountered was with activation (introducing electrolyte into the cell) and with venting gas from the cell without loss of electrolyte. During previous work, the following projections for energy density were made from test data for a high power system which demonstrated in excess of 50 discharge/charge cycles. Projected system power = 100 kilowatts; discharge time = 30 seconds; discharge current density = 1.75 amps/sq in.; system weight = 86 lbs (9.7 WH/lb); and system volume = 1071 cu. in. (.78 WH/cu. in.). EPI is currently working on a development program to produce a bipolar silver-zinc battery design for NASA. The potential application would be to power electromechanical actuators for space launch vehicles.

Giltner, L. John↗

NASA NTRS1992

Microgravity Effects on Standardized Cognitive Performance Measures

The purpose of this experiment, selected to fly on the International Microgravity Laboratory (IML-2) Spacelab mission, is to determine the effects of microgravity upon the cognitive skills which are critical to successful performance of many tasks on board the Space Shuttle. Six tests from the Unified Tri-service Cognitive Performance Assessment Battery (UTC-PAB) will be administered to the Mission Specialists to fulfill the goals of this experiment. These tests are based upon current theoretical models of human performance and the hypothesized effects of microgravity. The principle objective is the identification of the effects of microgravity upon specific information processing skills affecting performance from those of fatigue and shifts in work/rest cycles. Multiple measures of both short and long term fatigue will be obtained and used as a major independent variable for the analysis of these performance data. Scientific supporting studies will determine optimum practice and performance testing schedules for the astronauts. The same tests will be used post-flight to collect data on the recovery of any cognitive performance impairment compared with pre-flight, baseline levels.

Samuel G Schiflett↗

DOE OSTI2026

Ammonolysis with N 2 -diluted NH 3 suppresses Ta( IV ) defects in BaTaO 2 N and enhances photocatalytic water oxidation

BaTaO 2 N stands out among oxynitride photocatalysts because of its ability to capture visible light and to drive the photoelectrochemical water oxidation reaction. However, its solar energy conversion performance is limited by electron–hole recombination at Ta( IV ) defects in the material. These defects are formed by overreduction of the Ta(v) oxide precursor by excess ammonia under the high temperature conditions during ammonolysis. Here we show for the first time that Ta( IV ) defect concentrations can be lowered by conducting the ammonolysis reaction in mixed NH 3 /N 2 gas. The obtained BaTaO 2 N samples crystallize in the cubic CaTiO 3 structure type and form 200–300 nm faceted nanocrystals, based on X-ray diffraction, scanning electron microscopy, and HRTEM. Electron paramagnetic resonance spectra observe the Ta( IV ) defects at g = 1.999 and confirm an 11-fold reduction for the product synthesized in mixed (0.13 : 1.0 vol) NH 3 /N 2 gas, equivalent to 1.14 × 10 16 cm −3 Ta( IV ) ions. This optimized BaTaO 2 N has nearly twice the photocatalytic oxygen evolution activity (AQE of 6.78% at 400 nm) of a reference material made with 1.0 atm ammonia and 78% higher photoelectrochemical water oxidation photocurrent (0.9 mA cm −2 at 1.23 V vs. RHE) under simulated sunlight. According to X-ray photoelectron spectroscopy, remaining Ta( IV ) defects are concentrated in the surface region of the BaTaO 2 N particles, where >50% of all Ta ions are found in the +4 oxidation state. This surface Ta( IV ) population can be directly observed in Vibrating Kelvin Probe Surface Photovoltage Spectra (VK-SPV) via its 1.2–1.4 eV photovoltage onset. Here, it suggests that the surface Ta( IV ) ions contribute empty d-states 0.5–0.7 eV below the BaTaO 2 N conduction band edge. These findings highlight how the energetics and concentrations of Ta( IV ) defects influence the photoelectrochemical water oxidation ability of BaTaO 2 N. Additionally, the work establishes ammonolysis with diluted NH 3 as a new tool to minimize defects in BaTaO 2 N and to raise its solar energy conversion efficiency toward its theoretical limit. Because of its simplicity, the reduced ammonia pressure strategy will likely be applicable to other oxynitrides, which generally suffer from overreduction problems during ammonolysis.

Salmanion, Mahya [University of California, Davis,↗

NASA NTRSDate not supplied

Thin-Film Embedded Sensors for Battery Health Monitoring

Hybrid or all-electric aircraft are being developed as the next generation of aircraft to both allow new forms of aviation and decrease environmental impact. Since these types of aircraft are based on high-capacity battery technology, safe operation of these batteries becomes increasingly important. In particular, the potential for battery failure due to uncontrolled chemical reactions resulting in thermal runaway, catastrophic failure, and battery fires must be addressed in order for such battery technology to have the level of safety needed for standard aviation implementation. Efforts to ensure battery safety often involve engineering solutions that seek to contain rather than prevent such events by early detection. Such approaches increase the system weight and decrease the power per unit mass provided by the battery system. Existing methods for measuring battery parameters to determine the battery state-of-health are limited. These methods include electrical measurements of the cell current and/or voltage output as well as temperature measurements taken externally on the cell surface. Such external temperature measurements are limited in their ability to provide early warning of impending battery failure. In response, an effort to develop sensors operating internal to battery for health monitoring has been ongoing in the NASA Sensor-based Prognostics to Avoid Runaway Reactions & Catastrophic Ignition (SPARRCI) project. The basic approach associated with this sensor work is the deposition of thin film sensors on the battery separator located between the anode and cathode of the battery. These thin film sensors are then monitored to determine changes in battery parameters and health. Microfabrication techniques are employed to minimize the overall impact of the sensors on battery operation through the implementation of sensors with minimal size, weight, and power consumption. The thickness of the films, which are fabricated through physical vapor deposition (sputtering), are on the order of thousands of angstroms and can have minimal surface area. Thin film sensors for system health management have been implemented for a many decades on complex components for aerospace applications. However, the application of thin films of this type on a battery separator for internal battery monitoring applications has not previously been demonstrated to our knowledge. This paper describes the development of sensors for the internal battery monitoring through the use of thin film sensor technology. Thin metal films were successfully deposited on a battery separator polymer material with good adherence and electrical continuity. Multiple types of sensors have been deposited, as well as lead connections from the sensor to the edge of the separator material. The ability of these thin film sensors immersed in electrolyte to perform multiple types of battery parameter measurements has been demonstrated. For example, a multiparameter sensor system measured multiple properties simultaneously inside of a pouch cell over a wide temperature range. Further, real time measurement of interior temperature changes in a battery pouch cell with an integrated interior temperature sensor was demonstrated. These changes include detecting a fault in the battery (shorting) in situ with rapid response time (less than a minute) corresponding to a more limited response by a temperature sensor mounted externally. Other aspects of monitoring battery health were also explored, such as real-time measurement of simulated dendrite growth/metal deposition by sensor on separator material demonstrated. Future efforts will include improvements in the durability of the sensor structure to allow introduction of the approach into standard battery fabrication techniques. Overall, this work is a step forward in providing a method to prevent catastrophic battery failures and provide a foundation for safer, lighter, and higher energy batteries for the electric aircraft industry.

thin film battery health↗

DOE OSTI2026

Analysis of an irradiated uranium sample for source attribution without chemical separation using microplasma ionization and ultrahigh resolution mass spectrometry

The use of element isotope ratios has great potential in not only determining the reactor type used to produce plutonium (Pu) but also in determining the burnup and the time since irradiation. While a powerful nuclear forensic technique, determining element isotope ratios is complicated by severe isobaric interferences when performed on typical inductively coupled plasma mass spectrometers. Such analyses require extensive chemical separations prior to analysis to alleviate the inter-elemental isobars. Ultrahigh mass resolution spectrometry provides a potential alternative, greatly reducing the complexity of sample preparation and turnaround times for these critical measurements. To demonstrate the power of the approach, a sample of irradiated, depleted uranium was analyzed with the liquid sampling—atmospheric pressure glow discharge ion source coupled to an Orbitrap mass spectrometer. The Orbitrap is augmented with an external data acquisition system, Spectroswiss’s FTMS-Booster X2T, allowing collection of extended ion transients, providing higher mass resolution. In using this approach, the 150 Sm/ 149 Sm and 152 Sm/ 149 Sm isotope ratios were found to be within 20% of predicted values without any chemical separations and without mass bias corrections. In addition, the 240 Pu/ 239 Pu isotope ratio was determined, free from the 238 UH + interferences common to the ICP-MS platforms, while at the same time allowing for the determination of U isotopic signatures. While these demonstrative results are from a single sample, the advantages of the microplasma/ultrahigh mass resolution approach to intra-element isotope ratio determinations are clear.

Fuel burnup↗

NASA NTRS1992

Second LDEF Post-Retrieval Symposium Abstracts

These abstracts from the symposium represent the data analysis of the 57 experiments flown on the LDEF. The experiments include materials, coatings, thermal systems, power and propulsion, science, (cosmic ray, interstellar gas, heavy ions, micrometeoroids, etc.), electronics, optics, and life science.

Arlene S. Levine↗

NASA NTRS2026

Hot Water, Cold Reality: Feasibility Assessment of Iodine Removal in Heated Spacecraft Potable Water Systems

The current eXploration Potable Water Dispenser (xPWD) design removes iodine upstream of the heated leg due to concerns with the Activated Carbon and Ion Exchange (ACTEX) functionality in hot water, leaving the downstream volume without residual biocide. The NESC determined that this non-iodinated volume is a concern for microbial growth during exploration missions and proposed 33 biocide architecture options for future missions that could address this concern. The top-ranked architecture out of the report was Option 1: moving the iodine removal media as close to the dispensing needle as possible to minimize the wetted components without biocide in the xPWD. Three main challenges were identified with this proposed configuration. First, the hot water at 175 ± 25 °F is a concern for the potential physical degradation of the ion exchange resin and lowered adsorption capacity in activated carbon. Second, moving the ACTEX or alternative sorption media closer to the dispense needle increases the unheated volume downstream of the heater, challenging the ability for dispensed water to meet temperature requirements. Finally, bubbles evolved from dissolved gas coming out of solution in the heater could clog or reduce the efficiency of the sorption media. To address the first challenge, more thermally robust ion exchange resins were identified and adsorption capacity tests were planned and will be discussed in a companion ICES paper (ICES-2026-5). To address the dispense temperature concerns, allowable bed size and architectural configuration changes are proposed. The value of adding phase separators to remove bubbles and potential implementation schemes are discussed. These findings support the development of potable water systems resilient to microbial risks during long-duration space missions.

Biocide↗

NASA NTRS2026

Hot Water, Cold Reality: Feasibility Assessment of Iodine Removal in Heated Spacecraft Potable Water Systems

PWD↗

DOE OSTI2026

Direct Measurement of Cl − Activity in Metal Chloride Molten Salts using a Cl 2 /Cl − Electrode

Molten metal chloride salts are promising candidates for advanced heat transfer fluids in generation IV nuclear reactors and beyond. The activity of the chloride ion in the salt has a large influence on the redox characteristics of the corresponding molten salt. There exists a knowledge gap for the direct measurement of chlorobasicity (Lewis basicity) in molten-salt mixtures. Here, the focus of this work was to develop a Cl 2 /Cl − electrode for the direct measurement of chloride activity in molten metal-chloride salt mixtures. The LiCl–KCl eutectic system was utilized as the reference melt to determine the change in chloride ion activity as increasing concentrations of MgCl 2 are added to the LiCl–KCl eutectic working electrode. The results of the measurements indicated a reduction in chloride ion activity as the concentration of magnesium chloride increased, consistent with the complexation of free chlorides by Lewis acidic magnesium cationic species. The Temkin model was used to estimate the thermodynamic properties of MgCl 4 2− complex.

Chloride↗

NASA NTRS1990

Interactions Between the Space Station and the Environment: A Preliminary Assessment of EMI

A review of the interactions between proposed Space Station systems/payloads and the environment that contribute to electromagnetic interference was performed. Seven prime sources of interference have been identified. These are: The Space Station power system; active experiments such as beam injection; ASTROMAG; ram and wake density gradients; pick up ions produced by vented or offgassed clouds; waves produced by current loops that include the plasma and structure; arcing from high voltage solar arrays (or possible ESD in polar orbit). This review indicates that: minimizing leakage current from the 20 kHz power system to the structure; keeping the surfaces of the Space Station structure, arrays, and radiators nonconducting; minimizing venting of payloads or systems to non-operational periods; careful placement of payloads sensitive to magnetic field perturbations or wake noise; and designing an operational timeline compatible with experiment requirement are the most effective means of minimizing the effects of this interference. High degrees of uncertainty exist in the estimates of magnitudes of gas emission induced EMI, radiation of 20 kHz and harmonics, ASTROMAG induced interference, and arc threshold/frequency of the solar array. These processes demand further attention so that mitigation efforts are properly calibrated.

G B Murphy↗