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NASA NTRS2005

Chapter 19B - Antenna Radiation Patterns

Modern civil and military aircraft are equipped with a variety of communication devices, radio navigation equipment, and air traffic control systems. For all of these devices appropriate antennas must be available to transmit and receive the signals. As a result, as many as 30 antennas, and sometimes even more, are mounted around today's aircraft. For this reason, it is necessary to know the capabilities of the receiving/transmitting equipment on board. These capabilities are driven by the antenna characteristics. Therefore, coverage, shading, and beam pointing pattern data are necessary for optimum electronic coverage. The aircraft antenna has to convert the available power density of the electromagnetic field to an electric voltage at its connector. This voltage level must be sufficiently high to operate the connected equipment. The reciprocity principle states that it makes no difference if the antenna is receiving or transmitting. For the certification of the aircraft antennas it must be proven that the antennas are at least generating the minimum receiver input voltage which is required for each radio service. The prime condition is, of course, that the specified field power densities of the different radio navigation and communication services are available. An important property of a radio frequency link is the electro-magnetic field intensity at every point in space for a given output power of the antenna. As the propagation of radio frequency waves in free space is well known, the spatial distribution of the field intensity needs only be measured at one spatial sphere around the antenna. The information is usually given as distributions along the circumference of flat sections through this sphere: each of these is called an ARP. Several ARPs are usually required to describe the complete spatial antenna pattern of an antenna. In addition to mathematical modeling, measurements on sub-scale models, and static measurements on full size models or aircraft on the ground, dynamic measurements on aircraft in flight play the most important role in the aircraft antenna testing and certification. [19B-1] The shape of an ARP, for one given frequency, is determined by the shape of the antenna and the shape and material of the surface it is mounted on. As the directly transmitted waves interfere with waves reflected by the aircraft skin with its complex geometry, and the surface material parameters are only roughly known, it is not possible to predict the ARP with the required accuracy. In ground measurements the earth's surface also acts as a reflector thereby causing the ground ARP to be different from the in-flight ARP. As the in-flight ARP is the ARP we are actually interested in it becomes clear that it is necessary to conduct in-flight ARP measurements. The Flight Test Engineer must be aware of the needs of the specialists who are establishing the test program for measuring antenna patterns and radar cross sections. These tests will require special test equipment and dedicated flights to obtain the data that they require. This Section provides an introduction to the principles of determining antenna patterns and the flight techniques for determining both antenna patterns and radar cross section. Reference 19B-1 provides detailed information.

Helmut Bothe↗
NASA NTRSDate not supplied

Introduction to the JPSS-2 Advanced Technology Microwave Sounder (ATMS) Government Calibration Data Book (GCDB)

The third Advanced Technology Microwave Sounder (ATMS) is an instrument onboard the Joint Polar Satellite System (JPSS), JPSS-2 (renamed NOAA-21 in orbit) mission. This report is to introduce the JPSS-2 Government Calibration Data Book (J2 GCDB) for ATMS, SN 304. This J2 GCDB document contains key information generated during the calibration testing campaign that is driving parameters for radiometric performance. This document also contains supporting data that augments the calibration results. The values in this document are utilized by ATMS’s calibration packet which is, in turn, an integral component in the interpretation of science data. The calibration data in this report was collected from tests such as shelf-level testing, antenna testing, instrument thermal vacuum (TVAC) testing; satellite TVAC testing; and JPSS-2 post-launch tests. JPSS-2 was launched on November 10, 2022. In the subsequent years, the Government will release an ATMS GCDB for each JPSS mission. We expect that all public users can download these ATMS GCDBs from the NOAA operational Integrated Calibration and Validation System (ICVS) website, see more discussions below. The goal of this GCDB is to demonstrate how to characterize ATMS measurements using JPSS-2 ATMS on-orbit operational data and to provide relevant explanations. This document serves as a primary public domain reference for calibrating operational ATMS Raw Data Records (RDR) science data, as used in the current operational Interface Data Processing Segment (IDPS) system. This same RDR science data is distributed through direct broadcast (DB) to DB users for use in their ground processing systems. This J2 GCDB provides the results of the ATMS system radiometric calibration, the antenna flat reflector emissivity [1], the antenna pattern measurements, the antenna pattern corrected brightness temperature [2], the brightness temperature of the lunar disk [3], Lunar Intrusion (LI) correction algorithm [4], receiver spectral parameters, and mechanical alignment on-orbit pointing results, and the striping effect appeared significantly in S-NPP on-orbit radiance data when the data are compared to the Radiative Transfer Model (RTM) simulation in numerical weather prediction (NWP) system [5]. It also provides the parameters required for conversion of telemetry counts to engineering units, for radiometric calibration, and for antenna beam geo-location. Moreover, it provides JPSS-2 ATMS Spectral Response Functions data, some additional information related to ATMS on-orbit performance, on-orbit lunar intrusion correction parameters and Earth contamination bias, and on how to derive ATMS RDR, antenna Temperature Data Records (TDR), and Sensor Data Records (SDR). Furthermore, an introduction of NOAA operational Integrated Calibration and Validation System (ICVS) website and services is added in this J2 GCDB. This ICVS hosts a long-term monitoring system which allows to visualization and comparison of data from JPSS missions, NOAA legacy Polar Operational Environmental Satellites (POES), and Geostationary Operational Environmental Satellites (GOES). From NOAA Comprehensive Large Array-data Stewardship System (CLASS), the public users can download all JPSS ATMS data products for all JPSS missions.

Microwave Sounder↗
NASA NTRSDate not supplied

Time-History Statistics of Soot Formation in A Model Gas Turbine Combustor

Soot formation is a complex dynamic and intermittent process determined by properties of the fuel, combustor design, and combustor operation. Although the major steps in soot formation (i.e., formation of precursors, inception, growth and evolution) are similar for a variety of carbonaceous fuels, applications, and operating conditions, it remains unclear when the temporal transition between these steps occurs. An engineering prediction tool coupled with computational fluid physics (CFD), therefore needs to accurately model all these complex steps. To develop such a model, we propose the time-history concept for understanding the time dependency of soot formation as a function of local properties (i.e., temperature, velocity, local fuel air ratio, etc.). We continue our previous work with modeling the DLR aero-combustor [1] with our updated in-house CFD code, Open National Combustion Code (OpenNCC), that now includes a Multiple Time-Scale Flamelet Progress Variable approach and a the semi-empirical two-equation soot model. We injected massless tracer particles upstream of the injector region of the combustor to collect time-history statistics of the solution variables. The correlations between the collected statistics with respect to the experimental soot volume fraction data showed that time-history effect of certain flow variables, including turbulent kinetic energy (TKE), and multiple species is indeed important for soot formation. We then conducted a time-history based correlation analysis to determine the key species and the concentration ranges critical for soot formation (C6H5-based nucleation, acetylene-based surface growth, and oxidation with OH and O2). Based on the time-history correlation coefficient (THCC) analysis, we propose possible modifications to improve the current two-equation model.

LES↗
DOE OSTI2025

Electronic structure prediction of medium and high entropy alloys across composition space

We propose machine learning (ML) models to predict the electron density — the fundamental unknown of a material’s ground state — across the composition space of concentrated alloys. From this, other physical properties can be inferred, enabling accelerated exploration. A significant challenge is that the number of descriptors and sampled compositions required for accurate prediction grows rapidly with species. To address this, we employ Bayesian Active Learning (AL), which minimizes training data requirements by leveraging uncertainty quantification capabilities of Bayesian Neural Networks. Compared to the strategic tessellation of the composition space, Bayesian-AL reduces the number of training data points by a factor of 2.5 for ternary (SiGeSn) and 1.7 for quaternary (CrFeCoNi) systems. We also introduce easy-to-optimize, body-attached-frame descriptors, which respect physical symmetries while keeping descriptor-vector size nearly constant as alloy complexity increases. Our ML models demonstrate high accuracy and generalizability in predicting both electron density and energy across composition space.

materials science↗
DOE OSTI2024

Trust-Based Detection and Mitigation of Cyber Attacks in Distributed Cooperative Control of Islanded AC Microgrids

In this study, we address the challenge of detecting and mitigating cyber attacks in the distributed cooperative control of islanded AC microgrids, with a particular focus on detecting False Data Injection Attacks (FDIAs), a significant threat to the Smart Grid (SG). The SG integrates traditional power systems with communication networks, creating a complex system with numerous vulnerable links, making it a prime target for cyber attacks. These attacks can lead to the disclosure of private data, control network failures, and even blackouts. Unlike machine learning-based approaches that require extensive datasets and mathematical models dependent on accurate system modeling, our method is free from such dependencies. To enhance the microgrid’s resilience against these threats, we propose a resilient control algorithm by introducing a novel trustworthiness parameter into the traditional cooperative control algorithm. Our method evaluates the trustworthiness of distributed energy resources (DERs) based on their voltage measurements and exchanged information, using Kullback-Leibler (KL) divergence to dynamically adjust control actions. We validated our approach through simulations on both the IEEE-34 bus feeder system with eight DERs and a larger microgrid with twenty-two DERs. The results demonstrated a detection accuracy of around 100%, with millisecond range mitigation time, ensuring rapid system recovery. Additionally, our method improved system stability by up to almost 100% under attack scenarios, showcasing its effectiveness in promptly detecting attacks and maintaining system resilience. These findings highlight the potential of our approach to enhance the security and stability of microgrid systems in the face of cyber threats.

Computer Science↗
DOE OSTI2023

FAST Discovery of a Fast Neutral Hydrogen Outflow

Abstract In this letter, we report the discovery of a fast neutral hydrogen outflow in SDSS J145239.38+062738.0, a merging radio galaxy containing an optical type I active galactic nucleus (AGN). This discovery was made through observations conducted by the Five-hundred-meter Aperture Spherical radio Telescope (FAST) using redshifted 21 cm absorption. The outflow exhibits a blueshifted velocity likely up to ∼−1000 km s −1 with respect to the systemic velocity of the host galaxy with an absorption strength of ∼−0.6 mJy beam −1 corresponding to an optical depth of 0.002 atv= −500 km s −1 . The mass outflow rate ranges between 2.8 × 10 −2 and 3.6M ⊙ yr −1 , implying an energy outflow rate ranging between 4.2 × 10 39 and 9.7 × 10 40 erg s −1 , assuming 100 K s< 1000 K. Plausible drivers of the outflow include the starbursts, AGN radiation, and radio jet, the last of which is considered the most likely culprit according to the kinematics. By analyzing the properties of the outflow, AGN, and jet, we find that if the Hioutflow is driven by the AGN radiation, the AGN radiation does not seem powerful enough to provide negative feedback, whereas the radio jet shows the potential to provide negative feedback. Our observations contribute another example of a fast outflow detected in neutral hydrogen and demonstrate the capability of FAST in detecting such outflows.

Astronomy & Astrophysics↗
DOE OSTI2024

X-ray linear dichroic tomography of crystallographic and topological defects

Abstract The functionality of materials is determined by their composition 1–4 and microstructure, that is, the distribution and orientation of crystalline grains, grain boundaries and the defects within them 5,6 . Until now, characterization techniques that map the distribution of grains, their orientation and the presence of defects have been limited to surface investigations, to spatial resolutions of a few hundred nanometres or to systems of thickness around 100 nm, thus requiring destructive sample preparation for measurements and preventing the study of system-representative volumes or the investigation of materials under operational conditions 7–15 . Here we present X-ray linear dichroic orientation tomography (XL-DOT), a quantitative, non-invasive technique that allows for an intragranular and intergranular characterization of extended polycrystalline and non-crystalline 16 materials in three dimensions. We present the detailed characterization of a polycrystalline sample of vanadium pentoxide (V 2 O 5 ), a key catalyst in the production of sulfuric acid 17 . We determine the nanoscale composition, microstructure and crystal orientation throughout the polycrystalline sample with 73 nm spatial resolution. We identify and characterize grains, as well as twist, tilt and twin grain boundaries. We further observe the creation and annihilation of topological defects promoted by the presence of volume crystallographic defects. The non-destructive and spectroscopic nature of our method opens the door to operando combined chemical and microstructural investigations 11,18 of functional materials, including energy, mechanical and quantum materials.

Science & Technology - Other Topics↗
NASA NTRS2026

Moon Base Transportation - Deliveries to the Lunar Surface

Development of the Moon Base will enable a home away from home for astronauts who will live and work at humanity’s first lunar outpost. In this effort, NASA’s Moon Transportation Office is responsible for enabling the transformational missions required to deliver habitats, supplies, science payloads, and all other elements needed to cultivate a permanent presence on the Lunar Surface. The Mission Concept (MC) is characterized through evaluation of an end-to-end architecture that can successfully deliver a generalized heavy large-volume payload, in excess of 4000 kg, to a precision landing and touchdown on the lunar surface. The mission architecture utilizes a single launch configuration of a Lunar Lander (LL) with a unique propellant system. The LL has an integral orbital transfer capability and features jettisonable elements. The design circumvents the need for prop transfer on orbit and multiple launch configurations. The launch vehicle (LV) for this work will assume the capability to deliver a payload in excess of 40,000 kg to orbit, affording multiple LV solutions. Considerations for the LL and payload deployment from the fairing are assumed to be handled through compliance with a launch providers’ Interface Requirements Document (IRD). The MC will span from launch at Kennedy Space Center (KSC) to terminal descent and touchdown on the lunar surface, requiring a total ΔV on the order of 6 km/s beyond what is required to get the vehicle stack to a 200 km circular Low Earth Orbit (LEO). Major mission phases include: launch and launch vehicle separation, transfer operations, pre-landing navigation, and lunar descent and touchdown. A Concept of Operations (ConOps) is used as the primary design driver for defining architecture of the vehicles necessary to achieve final payload delivery. Numerous ground rules and assumptions will be provided for each phase of the mission. Concept designs for the LL is presented. An emphasis of the design maximizes a feasible path for maturation, manufacturing, and operation. A self-imposed practical consideration for this effort is the incorporation of legacy designed hardware to minimize expensive, time-intensive, and high-risk hardware development cycles. The propulsion system of the LL adopts a conventional storable bipropellant configuration of monomethyl hydrazine (MMH) and mixed oxides of nitrogen (MON3). This effort will showcase a unique propellant delivery system to minimize the reliance on propellant management devices (PMDs) during descent. Numerous key constraints have been considered, across the multiple segments of the mission. These include the unique aspects of center of gravity (CG) management, thruster plume effects including self-impingement, propulsion system hardware limitations, navigation during multiple mission phases, and landing gear geometry for uneven terrain. These constraints shape the trades necessary for precision landing of heavy cargo and ensure compatibility with broader Moon Base Transportation concepts. The resulting insights inform future transportation strategies for the Moon and beyond; directly contributing to the development of cargo‑delivery standards that will support the long‑term buildup of a sustainable, continuously inhabited Moon Base.

Lunar Habitat↗
NASA NTRS2026

Thermochemical Stability of Ca2Yb8(SiO4)6O2 Apatite in Presence of Molten Calcium-Magnesium-Aluminosilicate (CMAS)

Thermochemical stability of ytterbium silicon oxyapatite Ca 2 Yb 8 (SiO 4 ) 6 O 2 (CYbS) in the presence of molten calcium-magnesium aluminosilicate (CMAS) has been investigated at elevated temperatures for consideration as a thermal and environmental barrier coating (T/EBC) material. CYbS apatite powder was synthesized from the constituent oxides via a solid-state reaction method. Hot-pressed apatite substrates were exposed to molten CMAS at 1200, 1300, and 1400 °C for 1, 10, and 50 h. Development of phases in the interaction region of the heat-treated specimens was monitored using scanning electron microscopy, transmission electron microscopy, high-angle annular dark-field imaging, selected area electron diffraction, and energy dispersive x-ray spectroscopy. Monoclinic cyclosilicate Ca 3 Yb 2 (Si 3 O 9 ) 2 formed from interaction of CYbS apatite with CaO in the CMAS melt at the apatite-CMAS reaction front and continued to nucleate and grow within the residual CMAS in diffusion couples annealed for 1 to 50 h at 1200 °C as well as in those heat treated at 1300 °C for 1 h. Residual CMAS was depleted of Ca when cyclosilicate was present. Dendritic wollastonite (CaSiO3) was observed within the residual CMAS in couples annealed at 1200 and 1300 °C. Ingress of molten CMAS, because of its exponential decrease in viscosity, occurred through open pores and along the grain boundaries of the apatite substrates without any detectable chemical reaction at 1300 and 1400 °C. Results of this study indicate that Ca 2 Yb 8 (SiO 4 ) 6 O 2 apatite has the potential to mitigate the CMAS corrosion up to about 1200 °C but not at higher temperatures.

Narottam P Bansal↗
DOE OSTI2024

Stellar Population Properties in the Stellar Streams around SPRC047

Abstract We have investigated the properties (e.g., age, metallicity) of the stellar populations of a ringlike tidal stellar stream (or streams) around the edge-on galaxy SPRC047 (z= 0.031) using spectral energy distribution (SED) fits to integrated broadband aperture flux densities. We used visual images in six different bands and Spitzer/IRAC 3.6μm data. We have attempted to derive best-fit stellar population parameters (metallicity, age) in three noncontiguous segments of the stream. Due to the very low surface brightness of the stream, we have performed a deconvolution with a Richardson–Lucy–type algorithm of the low spatial resolution 3.6μm IRAC image, thereby reducing the effect of the point-spread function aliasedemissionfrom the bright edge-on central galaxy at the locations of our three stream segments. Our SED fits that used several different star formation (SF) history priors, from an exponentially decaying SF burst to continuous SF, indicate that the age–metallicity–dust degeneracy is not resolved, most likely because of inadequate wavelength coverage and low signal-to-noise ratios of the low surface brightness features. We also discuss how future deep visual–near-infrared observations, combined with absolute flux calibration uncertainties at or below the 1% level, complemented by equally well absolute flux-calibrated observations in ultraviolet and mid-infrared bands, would improve the accuracy of broadband SED fitting results for low surface brightness targets, such as stellar streams around nearby galaxies that are not resolved into stars.

Astronomy & Astrophysics↗
DOE OSTI2026

Development of an Amine Oxide Polyzwitterion Brush Martini Model with Polarizable Water and Ions

Abstract In order to accurately simulate the fouling process of proteins onto polyzwitterion brushes, models that accurately capture the hydration properties and chain conformations of such brushes must first be established. We developed a Martini coarse-grained (CG) model for amine oxide polyzwitterion (PNOMA) brushes, a promising class of antifouling materials, in polarizable water and ions by fitting to all-atom bond and angle distributions, monomer hydration free energy, monomer–monomer distance potential of mean force (PMF), and monomer–salt radial distribution functions (RDFs). Martini 2.2P was selected for compatibility with the established polarizable water and ion models. For comparison with PNOMA, we also constructed models for conventional sulfobetaine (PSBMA) and phosphorylcholine (PMPC) polyzwitterions and the polycation PMETAC using established nonbonded bead types from the literature and refitting bond and angle potentials. We simulated each polymer brush chemistry for varying grafting density and chain length, validating brush height scaling relations against experimental data. The CG models captured the relative hydration strengths among different polyzwitterion chemistries, and brush heights extrapolated to higher molecular weights are in agreement with experimental ellipsometry data. We find that chain swelling of the superhydrophilic PNOMA brushes lies between that of the traditional polyzwitterions PSBMA/PMPC and the polycation PMETAC. For PNOMA brushes in NaCl solution, simulated brush height decreases with salt concentration due to the selectively strong interactions between amine oxide and sodium ions.

Walker, Christopher C. [Oak Ridge National Laborat↗
DOE OSTI2024

Λ polarization from vortex rings as the medium response for jet thermalization

We performed a systematic study on the formation of vorticity rings as the process for jet thermalization in the medium created in high-energy nuclear collisions. In this work, we expanded our previous analysis to a more realistic framework by considering noncentral events and fluctuations in the initial condition. We simulate the formation and evolution of the flow vortex structure in a relativistic viscous hydrodynamic model and study the sensitivity of the proposed “ring observable” (ℛ$^{𝑡}_{Λ}$) that can be measured experimentally through the polarization of Λ hyperons. We show that this observable is robust with respect to fluctuating initial conditions to capture the jet-induced vortex flow signal and further study its dependence on different model parameters, such as the jet's velocity, position, the fluid's shear viscosity, and the collision centrality. The proposed observable is associated with the formation of vorticity in a quark-gluon plasma, showing that the measurement of particle polarization can be a powerful tool to probe different properties of jet-medium interactions and to understand better the polarization induced by the transverse and longitudinal expansions of the medium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Open quantum system approach to inclusive jet production in heavy-ion collisions

We derive a factorization formula for inclusive jet production in heavy-ion collisions using the tools of Effective Field Theory (EFT). We show how physics at widely separated scales in this process can be systematically separated by matching to EFTs at successively lower virtualities. Owing to a strong scale separation, we recover a vacuum-like DGLAP evolution above the jet scale, while the additional low-energy scales induced by the medium effectively probe the internal structure of the jet. As a result, the cross section can be written as a series with an increasing number of subjets characterized by perturbative matching coefficients each of which is convolved with a distinct function. These functions encode broadening, medium-induced radiations as well as quantum interference such as the Landau-Pomeranchuk-Migdal effect and color coherence dynamics to all orders in perturbation theory. As a first application of this EFT framework, we investigate the case of an unresolved jet and show how the cross section can be factorized and fully separate the jet dynamics from the universal physics of the medium. To compare to the existing literature, we explicitly compute the medium jet function at next-to-leading order in the coupling and leading order in medium opacity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Manipulation of Localized Excitons in CrPS4 by Temperature and Magnetic Field

Layered van der Waals magnetic semiconductors provide a versatile platform for exploring excitonic phenomena intertwined with spin and lattice degrees of freedom, enabling excitons to act as sensitive probes of magnetic order. CrPS4 is a layered antiferromagnetic semiconductor that hosts rich excitonic features whose microscopic origin and connection to magnetic ordering remain incompletely understood. Here, we investigate the electronic and excitonic properties of bulk CrPS4 using a combination of many-body perturbation theory, dynamical mean-field theory, and photoluminescence-based experiments. Our calculations establish CrPS4 as a direct-gap semiconductor with a bandgap of 2.48 eV in the antiferromagnetic phase. Several subbandgap excitonic transitions are predicted by theory, comprising multiple spin-allowed excitons and an additional spin-flip excitation, predominantly localized on the Cr3+ ions. Temperature- and magnetic-field-dependent optical measurements reveal thermally driven exciton redistribution among localized states and identify characteristic energy shifts that provide clear optical signatures of magnetic phase transitions in CrPS4. These results provide insights into the excitonic transitions of antiferromagnets and suggest potential routes for all-optical sensing and light-driven control of their magnetic order.

2D materials↗
DOE OSTI2024

User-Centric Communication With Aerial Network for 6G: A Reinforcement Learning Approach

Meeting the diverse needs of user verticals requires innovative cellular architectures that can offer additional degrees of freedom to provide on-demand services. The terrestrial user-centric radio access network (UC-RAN) stands out as an excellent choice for this purpose. However, a drawback of UC-RAN is its tendency to prioritize high-priority verticals, often resulting in a subpar quality of experience for low-priority verticals. This issue is particularly exacerbated in hotspot areas. Here, to address this problem, we introduce an aerial network integrated with terrestrial UC-RAN to provide coverage to users which are not served by the terrestrial network. Furthermore, we analyze the impact of key configuration and optimization parameters (COPs), such as location, transmit power, altitude, and beamwidth of aerial base stations (ABSs) on system key performance indicators (KPIs), such as coverage, latency satisfaction, average spectral efficiency, and energy efficiency. We formulate a robust multiobjective function to maximize these KPIs without biasing toward any specific KPI(s). Finally, we propose a deep reinforcement learning optimization framework based on the state-of-the-art soft actor-critic algorithm to control ABS COPs and optimize system KPIs. Experimental evaluations demonstrate that the proposed optimization framework can converge to near-optimal solutions derived from the pseudo brute force in a few thousand epochs.

6G↗
NASA NTRS2024

Performance of Two Battery Prognostic Applications used by Two Octocopters for Safe Low Altitude Autonomous Flight Operations

This paper addresses the problem of building trust in online predictions of the remaining available flying time for two different electric Unmanned Aerial Vehicles (eUAVs) powered by lithium-ion-polymer batteries. Flight tests for various automation research missions for the two vehicles were monitored using two on-board battery health management applications to make predictions of the remaining flying time (RFT) for each eUAV and to predict the state of the battery. Playback of the voltage, current and temperature profiles of the battery discharge were used to assess the accuracy of the estimation of the voltage and the charge states of the models as well as the estimate of the RFT. The reference ground truth values were the observed landing time and the measured battery pack resting pack voltage 20 minutes after the flight. The predicted RFT, state of charge (SoC), and state of energy (SoE) were compared with the observed results. Noise values of one standard deviation from the mean values of the internal charge states of the battery model during a reference run were used to vary the states during simulation. One application used an equivalent circuit model of the electrical dynamics of the battery pack, and the other application used a reduced-order electrochemistry model. The variation of the model state components was compared to the variation in the estimate of the RFT and the variation in the SoE to estimate a confidence factor. Variation in the estimates caused by factors affecting the off-line laboratory parameter identification experiments is considered. Variation in the estimates due to environmental factors are discussed.

Assurance↗
DOE OSTI2024

Tailoring Ion Transport in Li 3‐3y Ho 1+y Cl 6‐x Br x via Transition‐Metal Free Structural Planes and Charge Carrier Distribution

Abstract Localized atomistic disorder in halide‐based solid electrolytes (SEs) can be leveraged to boost Li + mobility. In this study, Li + transport in structurally modified Li 3 HoCl 6 , via Br − introduction and Li + deficiency, is explored. The optimized Li 3‐3 y Ho 1+ y Cl 6‐ x Br x achieves an ionic conductivity of 3.8 mS cm −1 at 25 °C, the highest reported for holmium halide materials. 6,7 Li nuclear magnetic resonance and relaxometry investigations unveil enhanced ion dynamics with bromination, attaining a Li + motional rate neighboring 116 MHz. X‐ray diffraction analyses reveal mixed‐anion‐induced phase transitions with disproportionate octahedral expansions and distortions, creating Ho‐free planes with favorable energetics for Li + migration. Bond valence site energy analysis highlights preferred Li + transport pathways, particularly in structural planes devoid of Ho 3+ blocking effects. Molecular dynamics simulations corroborate enhanced Li + diffusion with Br − introduction into Li 3 HoCl 6 . Li‐Ho electrostatic repulsions in the (001) plane presumably drive Li + diffusion into the Ho‐free (002) layer, enabling rapid intraplanar Li + motion and exchange between the 2d and 4h sites. Li 3‐3 y Ho 1+ y Cl 6‐ x Br x also demonstrates good battery cycling stability. These findings offer valuable insights into the intricate correlations between structure and ion transport and will help guide the design of high‐performance fast ion conductors for all‐solid‐state batteries.

Chemistry↗
DOE OSTI2024

Selective ion transport through hydrated micropores in polymer membranes

Abstract Ion-conducting polymer membranes are essential in many separation processes and electrochemical devices, including electrodialysis 1 , redox flow batteries 2 , fuel cells 3 and electrolysers 4,5 . Controlling ion transport and selectivity in these membranes largely hinges on the manipulation of pore size. Although membrane pore structures can be designed in the dry state 6 , they are redefined upon hydration owing to swelling in electrolyte solutions. Strategies to control pore hydration and a deeper understanding of pore structure evolution are vital for accurate pore size tuning. Here we report polymer membranes containing pendant groups of varying hydrophobicity, strategically positioned near charged groups to regulate their hydration capacity and pore swelling. Modulation of the hydrated micropore size (less than two nanometres) enables direct control over water and ion transport across broad length scales, as quantified by spectroscopic and computational methods. Ion selectivity improves in hydration-restrained pores created by more hydrophobic pendant groups. These highly interconnected ion transport channels, with tuned pore gate sizes, show higher ionic conductivity and orders-of-magnitude lower permeation rates of redox-active species compared with conventional membranes, enabling stable cycling of energy-dense aqueous organic redox flow batteries. This pore size tailoring approach provides a promising avenue to membranes with precisely controlled ionic and molecular transport functions.

Science & Technology - Other Topics↗