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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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324 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Demonstration of an All-Refractory Corrosion-Resistant Molten Salt Pumping and Storage Infrastructure Up to 950 degrees C

Concentrating solar power (CSP) with thermal energy storage (TES) has an estimated cost similar to solar photovoltaics (PV) with lithium-ion batteries (LIB), but CSP + TES has the potential for significantly reduced cost by operating above 700 degrees C. However, this requires a TES medium and containment infrastructure which are chemically compatible and do not degrade above 700 degrees C. MgCl2-KCl-NaCl (MKN) salt is a promising medium, but when MKN salt has small amounts of water and oxygen dissolved in it, it excessively corrodes conventional commercial alloys. Here, we consider refractory materials including graphite, carbon-carbon composite (C/C), and molybdenum because they maintain high mechanical strength at elevated temperatures and are expected to resist corrosion by MKN salt. While selection of refractory materials is often constrained by the need to remain chemically stable in air, this work uses an enclosure filled with inert gas to allow the use of materials like graphite and molybdenum. Notably, graphite components can seal against liquids unlike many brittle refractory materials. We demonstrate a centrifugal pump and mechanical seals made of refractory materials in a laboratory-scale circulation loop, which successfully operated continuously for more than 49 h at temperatures ranging from 750 degrees C to 950 degrees C with no mechanical failures or chemical degradation of the refractory materials. To the best of our knowledge, this is the highest temperature molten salt circulation loop that has been successfully developed, and this refractory infrastructure allows for operation at even much higher temperatures (<1600 degrees C) if a storage medium with a lower vapor pressure is used. The principles of this architecture are relevant to other applications with high temperature flowing metals and salts including Generation IV nuclear fission reactors for power production and molten salt electrolysis reactors for metallurgical processing.

14 SOLAR ENERGY↗
DOE OSTI2026

Design and simulation of a muon detector to characterize geological overburden

This study presents the design, construction, and simulation of a mobile muon detector tailored for geological overburden characterization. The detector employs plastic scintillator paddles with silicon photomultipliers (SiPMs) and a QuarkNet data acquisition system, offering a portable solution suitable for remote field deployment. The simulator’s modular aluminum frame allows for adjustable geometry and directional sensitivity, while its battery system supports over a week of autonomous operation. Preliminary experimental tests confirmed that its muon flux measurements were consistent with theoretical expectations. A comprehensive simulation framework using Geant4 and CORSIKA was developed to model detector response and overburden effects. Analytical and Monte Carlo methods were used to assess quadrant resolution and infer muon directionality. This work lays the foundation for future overburden mapping and supports the development of reconstruction algorithms for geological applications.

72 - PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2000

Power Systems Evaluated for Solar Electric Propulsion Vehicles

Solar electric propulsion (SEP) mission architectures are applicable to a wide range NASA missions including the robotic exploration of the outer planets in the next decade and the human exploration of Mars within the next 2 decades. SEP enables architectures that are very mass efficient with reasonable power levels (1-MW class) aerobrake and cryogenic upper-stage transportation technologies are utilized. In this architecture, the efficient SEP stage transfers the payload from low Earth orbit (LEO) High Energy Elliptical Parking Orbit (HEEPO) within a period of 6 to 12 months. highthrust, cryogenic upper stage and payload then separate from the SEP vehicle for injection to the planetary target, allowing for fast heliocentric trip times. This mission architecture offers a potential reduction in mass to LEO in comparison to alternative all-chemical nuclear propulsion schemes. Mass reductions may allow launch vehicle downsizing enable missions that would have been grounded because of cost constraints. The preceding figure illustrates a conceptual SEP stage design for a human Mars mission. Researchers at the NASA Glenn Research Center at Lewis Field designed conceptual SEP vehicle, conceived the mission architecture to use this vehicle, and analyzed the vehicle s performance. This SEP stage has a dry mass of 35 metric tons (MT), 40 MT of xenon propellant, and a photovoltaic array that spans 110 m, providing power to a cluster of eight 100-kW Hall thrusters. The stage can transfer an 80-MT payload and upper stage to the desired HEEPO. Preliminary packaging studies show this space-station-class SEP vehicle meets the proposed "Magnum" launch vehicle and volume requirements with considerable margin. An SEP vehicle for outer planetary missions, such as the Europa Mapper Mission, would be dramatically smaller than human Mars mission SEP stage. In this mission architecture, the SEP power system with the payload to provide spacecraft power throughout the mission. Several photovoltaic array design concepts were considered for the SEP vehicle power system for the human mission to Mars. These include a space station derivative, a SCARLET (Solar Concentrator Arrays with Refractive Linear Element Technology) derivative, and a hybrid inflatable-deployable thin polymer membrane array with thin-film solar cells (as shown in the concept illustration). This concept is based on a design developed for the Next Generation Space Telescope Sun shield. The array is divided into 16 independent electrical sections with 500-V, negative-grounded solar cell strings. The power system employs a channelized, 500-Vdc power management and distribution (PMAD) architecture with lithium ion batteries for energy storage for vehicle and payload secondary loads (the high-power Hall thrusters do not operate in eclipse periods). The 500-V PMAD voltage permits "direct-drive" thruster operation, greatly reducing the power processing unit size, complexity, and power loss. Similar power system architecture, designs, and technology are assumed for the Europa Mapper Mission SEP vehicle. The primary exceptions are that the photovoltaic array is assumed to consist of two rectangular wings and that the power system rating is 15 kW in Earth orbit and 200 W at Europa. To size the SEP vehicle power system, a dedicated Fortran code was developed to predict detailed power system performance, mass, and thermal control requirements. This code also modeled all the relevant Earth orbit environments; that is, the particulate radiation, plasma, meteoroids and debris, ultraviolet radiation, contamination, and thermal conditions. Analysis results for the Human Mars Mission SEP vehicle show a power system mass of 9-MT and photovoltaic array area of 5800-square meters for the thin-membrane design concept with CuInS2 thin-film cells. Power processing unit input power for a thin-membrane array design with three-junction, amorphous SiGe solar cells is shown in the graph. Power falls off rapidly inhe first weeks of the mission because of light-induced (Staebler-Wronksi) solar cell losses. During the next 200 days, power decreases steadily as the SEP stage spirals through the proton belts and sustains the bulk of the mission radiation damage. Once the vehicle apogee is above approximately four Earth radii, little additional degradation is incurred. From 400 to 800 days, a 1100-km "parking" orbit is maintained to await the next payload transfer opportunity. This orbit is below the main proton belt, and thus, little radiation dose is accumulated during this time period. During the second LEO-to-HEEPO transfer, power degrades somewhat further, but power requirements are still met. In comparison, the Europa Mapper SEP vehicle power system had a mass of 150 kg and a thin membrane array area of 100 square meters.

Kerslake, Thomas W.↗
DOE OSTI2020

Magnetization around mix jets entering inertial confinement fusion fuel

Engineering features are known to cause jets of ablator materials to enter the fuel hot-spot in inertial confinement fusion implosions. The Biermann battery mechanism wraps them in a self-generated magnetic field. Here we show that higher-Z jets have an additional thermoelectric magnetic source term that is not present for hydrogen jets, verified here through a kinetic simulation. It has similar magnitude to the Biermann term. We then include this in an extended magneto-hydrodynamic approach to post process an xRAGE radiation-hydrodynamic implosion simulation. The simulation includes an accurate model for the capsule fill tube, producing a dense carbon jet that becomes wrapped in a 4000 T magnetic field. A simple spherical carbon mix model shows that this insulates the electron heat conduction enough to cause contraction of the jet to an optically thick equilibrium. The denser magnetized jet hydrodynamics could change its core penetration and therefore the final mix mass, which is known to be well correlated with fusion yield degradation. Fully exploring this will require self-consistent magneto-hydrodynamic simulations. Experimental signatures of this self-magnetization may emerge in the high energy neutron spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Disentangling cation effects on ion mobility and structure in ionic liquid electrolytes

Ionic liquids (ILs) are low-temperature molten salts, where ion transport is primarily governed by ion–ion interactions. Yet, the impact of organic IL cations on critical electrolyte properties such as ion dissociation and overall transport behavior in lithium-salt-doped ILs remains poorly understood. Moreover, despite their critical role in designing IL-based electrolytes for energy storage applications, ion–ion interactions and ion-specific transport under an applied electrical potential are seldom quantified, largely due to the unique experimental and computational challenges involved. Herein, we compare transport properties obtained using 1 H, 7 Li, and 19 F pulsed-field gradient nuclear magnetic resonance (NMR) and electrophoretic NMR (eNMR) with those measured by electrochemical impedance spectroscopy. Non-equilibrium molecular dynamics (MD) simulations and eNMR confirm the presence of negatively charged [Li(TFSI) n ] (1−n) aggregates that migrate towards the positive electrode, resulting in negative lithium transference numbers. Equilibrium MD simulations reveal a vehicular Li ion transport mechanism facilitated by long-lived aggregates with Li + cations strongly bound to multiple TFSI − anions. Finally, we observe an inverse relationship between the apparent charge of the TFSI − anion in the neat IL, which is dictated by the IL cation, and Li + transport in the salt-doped systems. This highlights the opportunity to tune electrolyte performance by tailoring cation chemistry.

Li-ion batteries↗
DOE OSTI2022

Ames National Laboratory Annual Site Environmental Report for CY2021

The primary purpose of this report is to summarize the performance of Ames National Laboratory’s environmental programs, present highlights of significant environmental activities, and confirm compliance with environmental regulations and requirements for calendar year 2021. This report is a working requirement of Department of Energy Order 231.1B, Environment, Safety and Health Reporting. It includes descriptions of the Laboratory’s site, mission, the status of its compliance with applicable environmental regulations, its planning and activities to maintain compliance, and a comprehensive review of its environmental protection, surveillance and monitoring activities. Ames National Laboratory is located on the campus of Iowa State University (ISU) and occupies 13 buildings owned by the Department of Energy (DOE). See the Laboratory’s Web page for location and Laboratory overview. The Laboratory also leases space in ISU owned buildings. In 2021, the Laboratory accumulated and disposed of hazardous waste under a U.S. Environmental Protection Agency (EPA) issued generator number. All waste was handled according to applicable EPA, State, and local regulations and DOE Orders. The Laboratory operates as a Small Quantity Generator (SQG) of hazardous waste. There were no radiological air emissions or exposures to the general public due to Laboratory activities in 2021 (See U.S. Department of Energy Air Emissions Annual Report in Appendix A.) The Laboratory has an established Environmental Radiological Protection Program (Plan 10200.041) per DOE Order 458.1 requirements. Plans, policies, and procedures are in place to protect the public and the environment against undue risk from radiation associated with DOE radiological activities. As indicated in prior Site Environmental Reports, formal pollution prevention awareness, waste minimization and recycling programs have been in practice since 1990, with improvements implemented most recently in 2017 with Iowa State University’s shift toward single-stream recycling. Included in recycling efforts are items such as batteries, monitors, corrugated cardboard, lamps, miscellaneous electronic office equipment, mixed paper, newsprint, food/beverage containers, and laboratory glassware. Ames National Laboratory also recycles/reuses salvageable metal, used oil, and foamed polystyrene peanuts, and encourages chemical redistribution and sharing among research groups. Ames National Laboratory reported its contractual performance to DOE-Ames Site Office (AMSO) through the Laboratory’s Performance Evaluation Measurement Plan (PEMP), and a performance level of “B+” was achieved in 2021 for Sustain Excellence and Enhance Effectiveness of Integrated Safety, Health, and Environmental Protection As reported in Site Environmental Reports for prior years, the Laboratory’s Environmental Management System (EMS) has been integrated into the Laboratory’s Integrated Safety Management System (ISMS) since 2005. The integration of EMS into Laboratory business practices allows the Laboratory to systematically review, address and respond to environmental impacts. In addition to DOE-identified objectives and targets, the EMS Steering Committee recommends annual environmental goals for the Laboratory. Due to the COVID-19 pandemic and limited onsite work staff, goals of reducing water usage and travel/commuting to promote the reduction of scope 3 greenhouse gases were achieved. All contract deliverables and environmental compliance activities were still met during this time.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Room temperature sodium diffusion in sodium iron phosphate investigated with neutron scattering

Sodium iron phosphate, Na x FePO 4 , is currently one of the most promising cathode materials for sodium ion batteries. Here we employ a systematic approach using three neutron scattering techniques to investigate temperature dependent properties with a focus on the charge transfer processes. Two distinct Na + diffusive motions are observed with quasielastic neutron scattering, including room temperature motion. These processes correspond to rapid double jumps through extrinsic vacancy sites of ∼6 Å along with the more fundamental nearest neighbor jumps of 3.1 Å. Experimental observations of room temperature ionic diffusion are highly desirable, as the diffusion pathways are naturally well suited for efficient transport. Inelastic neutron scattering was used to probe the vibrational density of states that assist in the ionic and electronic (polaronic) transport processes, which are further supported with density functional theory. Neutron diffraction examines the disordering of the sodium sublattice upon transition to the solid-solution phase, which is believed to enhance the overall kinetics during sodium insertion/extraction. Finally, 57 Fe Mössbauer spectroscopy measurements probes polaron hopping and the local structural evolution that modifies the electron density surrounding the redox active iron sites. This study sheds light on the temperature induced atomic scale dynamics that occur in olivine Na x FePO 4 .

Novak, Eric [Swarthmore College, Swarthmore, PA (U↗
DOE OSTI2023

Role of Intradomain Heterogeneity on Ion and Polymer Dynamics in Block Polymer Electrolytes: Investigating Interfacial Mobility and Ion-Specific Dynamics and Transport

Block polymers show promise as solid-state battery electrolytes due to the optimization of conductive and mechanical properties enabled via tuning of block chemistry and length. We investigate a polystyrene-block-poly(oligo-oxyethylene methacrylate) (PS-b-POEM) electrolyte doped with various lithium salts to investigate the role of molecular structure on ion transport properties and on local ion dynamics and associations. Anion charge becomes more delocalized with increasing size, reducing the coupling between salt ions while increasing coupling between ion and polymer chain motions and creating a more mobile overall environment. We observe support for this ion-polymer coupling via 1 H, 7 Li and 19 F NMR spectroscopy, from which we obtain ion-specific mobility transition temperatures that differ from the polymer glass transition temperature. We also note faster transport and weaker local energetic interactions with anion size using temperature-dependent NMR diffusometry. 1 H NMR spectroscopy further elucidates polymer chain dynamics and enables quantification of the temperature-dependent fraction of the conducting block that is immobile near the PS-POEM domain interface. As a result, NMR thus represents a species-specific and timescale-specific platform to quantify phase and interface behavior, and to correlate ion-specific transport with polymer chain dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Intrinsic Kinetic Limitations in Substituted Lithium-Layered Transition-Metal Oxide Electrodes

Substituted Li-layered transition-metal oxide (LTMO) electrodes such as Li x Ni y Mn z Co 1-y-z O 2 (NMC) and Li x Ni y Co 1-y-z Al z O 2 (NCA) show reduced first cycle Coulombic efficiency (90-87% under standard cycling conditions) in comparison with the archetypal Li x CoO 2 (LCO; similar to 98% efficiency). Focusing on Li x Ni 0.8 Co 0.15 Al 0.0.5 O 2 as a model compound, we use operando synchrotron X-ray diffraction (XRD) and nuclear magnetic resonance (NMR) spectroscopy to demonstrate that the apparent first-cycle capacity loss is a kinetic effect linked to limited Li mobility at x > 0.88, with near full capacity recovered during a potentiostatic hold following the galvanostatic charge- discharge cycle. This kinetic capacity loss, unlike many capacity losses in LTMOs, is independent of the cutoff voltage during delithiation and it is a reversible process. The kinetic limitation manifests not only as the kinetic capacity loss during discharge but as a subtle bimodal compositional distribution early in charge and, also, a dramatic increase of the charge-discharge voltage hysteresis at x > 0.88. 7 Li NMR measurements indicate that the kinetic limitation reflects limited Li transport at x > 0.86. Electrochemical measurements on a wider range of LTMOs including Li x (Ni,Fe) y Co 1-y O 2 suggest that 5% substitution is sufficient to induce the kinetic limitation and that the effect is not limited to Ni substitution. In this paper, we outline how, in addition to a reduction in the number of Li vacancies and shrinkage of the Li-layer size, the intrinsic charge storage mechanism (two-phase vs solid-solution) and localization of charge give rise to additional kinetic barriers in NCA and nonmetallic LTMOs in general.

25 ENERGY STORAGE↗
DOE OSTI2026

Accelerating ion transport by dynamic asymmetry of alternating polymer electrolytes

Polymer based electrolytes allow the absence of volatile components in batteries thus increasing their safety. Yet, they exhibit drawbacks based on their low conductivity. We have used an alternating polymer consisting of dimethyl siloxane (DMS) and ethylene glycol (EG) blocks to circumvent known disadvantages of the usually used polyethylene glycol (PEG). Incorporating dimethyl siloxane lowers the glass-transition temperature and thus reduces the segmental relaxation time, by dynamic asymmetry or internal plasticization of the constituting polymer blocks. The alternating structure ensures miscibility of the different components and hinders crystallization. Furthermore, the pure polymer, P(DMS 3 -alt-EG 4 ), shows a segmental relaxation time well in the range needed for polymer electrolytes. Mixtures of LiClO 4 and P(DMS 3 -alt-EG 4 ) show a drastically reduced temperature dependence of their DC conductivity in comparison to PEG based systems, resulting in an increase by two orders of magnitude at T = 5 °C and even three to four orders of magnitude at T = 0 °C. Addition of coordinating (acetonitrile) or non-coordinating (toluene) solvent increases conductivity either via additional plasticization or by weakening the Li-binding yet looking at the dynamics at low concentrations of additional solvent the mobility of the polymer is reduced. In conclusion, the solvent addition leads only at higher solvent concentration to a reduction in relaxation time.

Jakobi, Bruno [Louisiana State Univ., Baton Rouge,↗
DOE OSTI2025

Harnessing Cation Disorder for Enhancing Ionic Conductivity in Lithium Inverse Spinel Halides

Halides are promising solid-state electrolytes for all-solid-state lithium batteries due to their exceptional oxidation stability, high Li-ion conductivity, and mechanical deformability. However, their practicality is limited by the reliance on rare and expensive metals. This study investigates the Li 2 MgCl 4 inverse spinel system as a cost-effective alternative. Molecular dynamics simulations reveal that lithium disordering at elevated temperatures significantly reduces the activation energy in Li 2 MgCl 4 . To stabilize this disorder at lower temperatures, we experimentally explored the Li x Zr 1–x/2 Mg x/2 Cl 4 system and found that Zr doping induces both Zr and Li disorder at the 16c site at room temperature (RT). This leads to a 2 order-of-magnitude increase in ionic conductivity for the Li 1.25 Zr 0.375 Mg 0.625 Cl 4 composition, achieving 1.4 × 10 –5 S cm –1 at RT, compared to pristine Li 2 MgCl 4 . By deconvoluting the role of lithium vacancies and dopants, we reveal that cation disordering to the 16c site predominantly enhances ionic conductivity, whereas lithium vacancy concentration has a very limited effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Development of Lightweight Structural Materials with Improved Properties for Fission Batteries

Fission batteries require lightweight structural materials that demonstrate structural resilience when subjected to repeated shutdown, transportation, startup cycles, and certain external conditions, including rare events such as seismic vibrations and tsunamis. The objectives of this project are (1) to produce lightweight structural materials whose strength-to-weight ratios and fatigue resistance exceed those of current widely used structural materials such as 316 stainless steels (SS316), and (2) to enhance radiation tolerance of structural materials over a suitable service temperature range. To achieve these, (1) a lattice structure will be produced, (2) advanced modeling and simulation tools will be employed to design lattice structures (e.g., a gyroid structure) that reduce stress concentrations and thus increase fatigue resistance, and (3) one-dimensional (1-D) carbon nanotubes will be added to enhance radiation resistance. To validate our solution, high-temperature tensile and fatigue testing, in combination with microstructure characterization, will be conducted on wrought materials, additively manufactured solid materials, and the designed lightweight lattice structure material. Ion irradiation, microstructure characterization, and nanoindentation will be carried out to investigate the effect of 1-D carbon nanotubes on radiation tolerance. Successful completion of this project will deliver a material to serve as a substitute for current SS316 using the same chemistry but with lighter weight and improved mechanical properties. In addition, a material with carbon nanotubes can be designed for improved radiation tolerance over a suitable service temperature range. This project will establish new techniques in innovative materials/lattice design, advanced macroscale properties prediction, and the application of state-of-the-art processes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The impacts of charge transfer, localization, and metallicity on hydrogen retention and transport capacity

Solid state hydrides such as early transition metal hydrides are of inestimable importance for the future of hydrogen energy and are actively being investigated for energy conversion and storage applications such as fuel cells, solid-state batteries and neutron moderators. The retention and transport behavior of hydrogen in these hydrides has a huge role on the extended performance of components. While early transition-metal-based compounds exhibit many peculiar properties due to their unique correlated electronic signatures arising from -orbital electrons, the fundamental chemistry and transport behavior of hydrogen in such hydrides is not well understood. In the present work, using density functional theory, a highly intricate bonding feature is revealed through the theoretical investigation of the electronic structure of early transition metal hydrides YH 2 and ZrH 2 . In particular, a pronounced charge transfer from the transition element to H, results in localized electron densities at deep energy levels. The interplay between intrinsic charge transfer, charge localization, and metallicity in YH 2 and ZrH 2 leads to strong chemical bonding between metal and hydrogen atoms and large energy barriers for the migration of hydrogen vacancies. Specifically, hydrogen vacancies are found to be stable in the neutral state due to electron screening effects, accompanied by substantially high migration barriers between 0.8–1.2 eV along different crystallographic directions. In contrast, recent literature shows the migration barrier for charged H vacancies in insulating s-block metal hydrides lie between 0.1–0.4 eV, which is suitable for fast conduction applications. This pivotal electron structure difference exploited between early transition metal hydrides and alkali/alkaline earth metal hydrides determines extended hydrogen retention in these early transition metal hydrides. Finally, this work explains fundamental differences between the electronic structure of s-block and d-block metal hydrides, and its impact on the mobility of hydrogen vacancies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Fast ionic conduction achieved through the design and synthesis of ceramic heterointerfaces

Lithium (Li) chloride and iron oxychloride (FeOCl), typically nonconductive, were combined to form a [Li 1+δ Cl] δ+ /[FeOCl] δ- heterointerface composite material (LFH), achieving ionic conductivities of >1 mS cm -1 . Analysis techniques (scanning transmission electron microscopy [STEM] and electron energy-loss spectroscopy [EELS]) indicated that the microstructure of LFH consisted of an amorphous LiCl-based shell surrounding a crystalline FeOCl-based core. Electrochemical measurements alongside solid-state 6,7 Li nuclear magnetic resonance (NMR) and molecular dynamic simulations revealed Li+ as the sole conductive species, with a diffusion barrier of ~0.25 eV. X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) results further supported interstitial Li + diffusion at the heterointerface and within the LiCl phase, made possible by the heterointerface. Despite susceptibility to electronic conductivity, iron’s defects and multivalency (Fe³⁺, Fe²⁺) enable the Fe–O–Cl framework to accept Cl - , facilitating Li⁺ ionic conduction. Finally, a prototype solid-state cell (showing 97% Coulombic efficiency) demonstrated the viability of this heterointerface design for applications in energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Thermal Stability of LiNi x Mn y Co z O 2 Cathode Materials

Here, the thermal evolution of LiNi x Mn y Co z O 2 (NMC) lithium-ion battery electrode materials is examined at various states of charge (SOC) or lithium concentrations for a variety of Ni:Mn:Co ratios or electrode compositions. Synchrotron X-ray diffraction (XRD) combined with Rietveld analysis shows the onset decomposition temperatures of phases, decomposition products, lattice parameters, and phase fractions as a function of composition and SOC. SOC impacts the lattice parameters of the NMC phase, where a collapse of the c-axis in the NMC phases is noted due to lithium extraction. Among the compositions examined, the low-Ni NMC111 uncycled sample (NMC111 0% SOC) exhibited the highest thermal stability, with a decomposition temperature approximately 250 °C higher than that of NMC532 0% and NMC811 0%. When the SOC exceeds 50% (i.e., more than 0.4 mol of Li ions extracted), the influence of Ni content on the decomposition temperature becomes negligible, with decomposition occurring around 250−300 °C for all compositions. Ni content also affects the decomposition pathways: NMC111 tends to first form a TM 3 O 4 -type phase, where TM represents transition metals, before transforming into a TMO-type phase, whereas most of the NMC811 samples directly decompose into the TMO phase. The presence of metallic phases was confirmed by both XRD and thermogravimetric-differential scanning calorimetry (TGA-DSC) analysis, as a result of heating under inert conditions. The TGA-DSC results suggest that metallic phase formation is favored at lower SOC in samples with a higher Ni content. This work provides comprehensive insight into the thermal degradation pathways of NMC materials as a function of composition, SOC, and temperature.

Peng, Jian [Univ. of New South Wales, Sydney, NSW ↗
DOE OSTI2023

Report on ISR-1 High-Altitude Balloon Flight

To test small technologies at lower cost for space science applications, LANL has developed a small high altitude balloon payload that could, in the future, be regularly and inexpensively launched from LANL. A neutron detector, NEMO, was integrated to evaluate its performance in a space-like mixed-radiation environment and collect neutron data in the atmosphere. In collaboration with EES-14, a high-altitude balloon payload was launched from LANL Technical Area 51 on February 27, 2023 and April 17, 2023. For real-time geolocation, a SAM-M8Q M8 GNSS module was used to get position and time, and an Iridium RockBLOCK 9603 was used to communicate with the ground using the Iridium satellite fleet. These modules were all controlled using an Iteaduino Mega microcontroller board. Finally, a High Altitude Science Eagle Flight Computer with a temperature pressure sensor ran independently, writing data to an SD card. All of these modules were powered by a 5 mAh lithium polymer battery. The battery was attached to the bottom of the payload while the remaining electronics were embedded in the underside of the top of the payload. These modules were wired as seen in Figure 1-2. The Iteaduino Mega microcontroller board was programmed to use the RockBLOCK to send a message once every 10 minutes containing neutron and GPS data read off the NEMO and SAM M8Q, respectively. Once the message send attempt finished, the RockBLOCK would be slept for the rest of the 10 minute interval. The Eagle Flight Computer ran continuously throughout the flight, taking data every 6 seconds. The RockBLOCK message data was set up to be delivered from the Iridium satellite fleet to a website, where it was stored and parsed to create live maps and plots for analysis and balloon retrieval. The RockBLOCK message data was additionally configured to be sent to an email as a fail-safe. The payload was ground-tested successfully for over 50 hours, with multiple revisions occurring to best prepare for conditions at altitude and improve the software and firmware to fix any issues that cropped up with the data pipeline. Additional to the balloon payload, the flight had an attached iMet-4 radiosonde and Garmin T5 GPS Dog Collar. The radiosonde provided GPS and meteorological data. The T5 dog collar is used along with a Garmin Astro 430 to track the balloon at a range of up to 9 miles for retrieval. The balloon itself was initially a 1600 g meteorological balloon with an attached High Altitude Science parachute, both of which can be seen in Figure 1-3. After the first flight, the EES team swapped to a Rocketman parachute.

42 ENGINEERING↗
DOE OSTI2023

Artifact identification in X-ray diffraction data using machine learning methods

In situ synchrotron high-energy X-ray powder diffraction (XRD) is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices ( e.g. battery materials) or in complex sample environments ( e.g. diamond anvil cells or syntheses reactors). An atomic structure of a material can be identified by its diffraction pattern along with a detailed analysis of the Rietveld refinement which yields rich information on the structure and the material, such as crystallite size, microstrain and defects. For in situ experiments, a series of XRD images is usually collected on the same sample under different conditions ( e.g. adiabatic conditions) yielding different states of matter, or is simply collected continuously as a function of time to track the change of a sample during a chemical or physical process. In situ experiments are usually performed with area detectors and collect images composed of diffraction patterns. For an ideal powder, the diffraction pattern should be a series of concentric Debye–Scherrer rings with evenly distributed intensities in each ring. For a realistic sample, one may observe different characteristics other than the typical ring pattern, such as textures or preferred orientations and single-crystal diffraction spots. Textures or preferred orientations usually have several parts of a ring that are more intense than the rest, whereas single-crystal diffraction spots are localized intense spots owing to diffraction of large crystals, typically >10 µm. In this work, an investigation of machine learning methods is presented for fast and reliable identification and separation of the single-crystal diffraction spots in XRD images. The exclusion of artifacts during an XRD image integration process allows a precise analysis of the powder diffraction rings of interest. When it is trained with small subsets of highly diverse datasets, the gradient boosting method can consistently produce high-accuracy results. The method dramatically decreases the amount of time spent identifying and separating single-crystal diffraction spots in comparison with the conventional method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Development of the Intelligent, Preventive Infrared (IR) Inspection System Housed in Hybrid Robotic Platforms

Robots and robotic systems that are designed for inspection, environmental study, and health and safety aid are becoming an increasing necessity. However, there is a number of challenges that accompany robots that are designed for these specific applications. These challenges include: navigating compact, enclosed spaces, travelling over multiple terrains and large obstacles, using the proper sensing and detection methods to assess an environment, and the use of lightweight and durable materials. The robotic platforms currently in development look at all of these challenges and attempt to overcome them. These designs specific use of hybrid robotic platforms, or platform that utilizes soft and rigid materials, allows for a more flexible platform and makes environments more navigable. To further improve the navigation of the platforms and environmental assessment, a novel infrared detection system is housed in the platforms to create a robot that can be used for the applications listed above and more. Objectives: Further develop two types of robotic platforms that utilize additive manufacturing, soft materials, and rigid materials. Continue the development of an intelligent and inhibitory infrared detection system based on an artificial intelligence (AI) algorithm. Continued study and fabrication of active soft materials designed for both sensing and actuation in hybrid robotic systems. Improve additive manufacturing fabrication to design rigid and semi-rigid components for hybrid robotic platforms. Transformable Wheel Robotic Platform: The chassis, wheels, tires and inspection system housing use different additive manufacturing techniques for fabrication. Continued work with additive manufacturing has lead to studies in metal-based printing and modular design and manufacturing. The new platform design with integrated electrical component printed. This will allow integration of the sensor housing onto the platform. Electrical components are being tested for battery life and performance. To improve this performance, such as integration of Lithium Polymer (LiPo) batteries. Snake Robotic Platform: The main focus of the development has centered around liquid-based soft actuators. That act on the principles of electrostatic and hydraulic actuation. A liquid dielectric sits between two compliant electrodes, contained by a flexible polymer shell. The electrodes and film gradually collapse toward each other from one corner of the electrode to the other. When the electrodes and film close together, a majority of the fluid is pushed into the area not covered by an electrode. A thin layer of the liquid dielectric remains between the electrode. The actuators will be stacked to cause large displacement, and move the linkages. The chassis of this platform uses purely additively manufactured linkages. Intelligent, Preventive IR Inspection System: Development of the AI for the system has lead to using a Scikit-Learn which assists in creating predictive models based on Regression, clustering, classification etc. To improve the infrared thermometry for low emissivity sources, work on the fabrication of a tandem photoconductive infrared thermometer was a main focus. Distance-Voltage-Temperature response data has been collected in the range of 7 cm - 100 cm and 200-400 deg. C. Modifications were made to the existing test bench to have a better control over the data. Automated data collection was realized using a Python code and an Arduino controlled stepper motor to increase the sample rate. A protective enclosure has been built around the setup to minimize the effect of the environment on the measurements. To better predict temperature, different AI models are being optimized. The regression model, LARS showed a high accuracy but had convergence issues and only works for the current test set-up. Results: The Transformable Wheel Robot has developed into a more flexible and modular platform. With the improvements to the current work, effort on the tire or soft gripper design been a large focus. The soft grippers will be interchange able to allow for increased performance in identified terrain types. The development of the liquid-based actuators allows the snake robotic platform to achieve the goals of being flexible and able to navigate confined spaces. However, there is room for improvement. Optimization work is currently being done in COMSOL Multiphysics. With the current IR system set-up the LARS model perfectly predicts the data; however, considering the mobility aspect of the project other models will allow for an optimized system. Testing of other model types is currently being done.

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