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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Influence of Electrolyte Additives on Interfacial Stability of Manganese-Rich Lithium-Ion Battery Cathodes

Affordable, long-lasting energy storage has become critical to support increased electricity demand in recent years. Cobalt-free, lithium- and manganese-rich lithium nickel manganese oxide (LMR-NM) cathodes stand to reduce cost and supply-chain concerns associated with traditional cobalt-containing cathodes for lithium-ion batteries by leveraging more earth-abundant materials; however, they have shown issues with long-term cycling stability. Here, we investigate lithium difluoro(oxalate)borate (LiDFOB), tris(trimethylsilyl) phosphite (TMSPi), and vinylene carbonate (VC) electrolyte additives for their ability to improve cycling performance of LMR-NM (0.3 Li 2 MnO 3 + 0.7 LiMn 0.5 Ni 0.5 0 2 ) cells. Cryogenic scanning transmission electron microscopy (cryo-STEM) with electron energy loss spectroscopy enables the construction of a structure–function relationship between cathode electrolyte interphase (CEI) characteristics and the electrochemical performance of cells aged with these additives. We find the combination of 2 wt % TMSPi + 1 wt % LiDFOB performs better than any single additive, achieving a 28% improvement in specific capacity over the baseline electrolyte after long-term cycling. We attribute this to LiDFOB mitigating Mn ion dissolution, with cryo-STEM showing Mn stabilized up to the CEI surface, coupled with improved CEI structure and chemistry enabled by TMSPi, evidenced by a moderately thick (∼7–15 nm) CEI that appears to protect against further electrolyte reactions with the particle. These results, achieved through site-specific nanoscale characterization, directly reveal mechanisms through which electrolyte engineering can improve the performance of earth-abundant cathodes, enabling informed development of more affordable and reliable batteries to meet future energy storage needs.

25 ENERGY STORAGE↗
NASA NTRS1989

Purification and characterization of soluble (cytosolic) and bound (cell wall) isoforms of invertases in barley (Hordeum vulgare) elongating stem tissue

Three different isoforms of invertases have been detected in the developing internodes of barley (Hordeum vulgare). Based on substrate specificities, the isoforms have been identified to be invertases (beta-fructosidases EC 3.2.1.26). The soluble (cytosolic) invertase isoform can be purified to apparent homogeneity by diethylaminoethyl cellulose, Concanavalin-A Sepharose, organo-mercurial Sepharose, and Sephacryl S-300 chromatography. A bound (cell wall) invertase isoform can be released by 1 molar salt and purified further by the same procedures as above except omitting the organo-mercurial Sepharose affinity chromatography step. A third isoform of invertase, which is apparently tightly associated with the cell wall, cannot be isolated yet. The soluble and bound invertase isoforms were purified by factors of 60- and 7-fold, respectively. The native enzymes have an apparent molecular weight of 120 kilodaltons as estimated by gel filtration. They have been identified to be dimers under denaturing and nondenaturing conditions. The soluble enzyme has a pH optimum of 5.5, Km of 12 millimolar, and a Vmax of 80 micromole per minute per milligram of protein compared with cell wall isozyme which has a pH optimum of 4.5, Km of millimolar, and a Vmax of 9 micromole per minute per milligram of protein.

NASA Program Space Biology↗
DOE OSTI2023

Electronic and Thermal Properties of the Cation Substitution-Derived Quaternary Chalcogenide CuInSnSe 4

Quaternary chalcogenides continue to be of interest for a variety of technological applications, with physical properties stemming from their structural complexity and stoichiometric variation. In certain structure types, partial vacancies on specific lattice positions present an opportunity to investigate electrical and thermal properties in light of these lattice defects. In this work, we investigated the structural, thermal, and electronic properties of CuInSnSe 4 , a material that belongs to a relatively unexplored class of quaternary chalcogenides with a defect adamantine crystal structure. First-principles calculations together with experimental measurements revealed a chalcopyrite-like structure with inherent vacancies and characteristic s–p and p–d orbital hybridizations in the electronic structure of the material. Cation disorder and lattice anharmonicity result in very low thermal conductivity with values significantly lower than those for related compositions. In conclusion, this work reveals the fundamental physical properties of a previously uninvestigated quaternary chalcogenide and may aid investigations of similar as well as other quaternary chalcogenide compositions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Determining GPS average performance metrics

Analytic and semi-analytic methods are used to show that users of the GPS constellation can expect performance variations based on their location. Specifically, performance is shown to be a function of both altitude and latitude. These results stem from the fact that the GPS constellation is itself non-uniform. For example, GPS satellites are over four times as likely to be directly over Tierra del Fuego than over Hawaii or Singapore. Inevitable performance variations due to user location occur for ground, sea, air and space GPS users. These performance variations can be studied in an average relative sense. A semi-analytic tool which symmetrically allocates GPS satellite latitude belt dwell times among longitude points is used to compute average performance metrics. These metrics include average number of GPS vehicles visible, relative average accuracies in the radial, intrack and crosstrack (or radial, north/south, east/west) directions, and relative average PDOP or GDOP. The tool can be quickly changed to incorporate various user antenna obscuration models and various GPS constellation designs. Among other applications, tool results can be used in studies to: predict locations and geometries of best/worst case performance, design GPS constellations, determine optimal user antenna location and understand performance trends among various users.

Moore, G. V.↗
NASA NTRSDate not supplied

NASA Sensors and Instrumentation: Driving Technologies to Enable an Innovative and Prosperous Future

The NASA Engineering and Safety Center (NESC) stems from the NASA Office of the Chief Engineer and is dedicated to conducting discipline specific gap analyses to identify areas for strategic investment; leading in-depth investigations of the state of the discipline and providing recommendations to senior NASA management on investment, divestment, and consolidation; and providing input to strategic planning and roadmap activities for 20 distinct disciplines, including Sensors and Instrumentation. The Sensors and Instrumentation discipline, which includes optics and photonics, is critical to ensuring the health and safety of NASA’s missions, as well as providing innovative solutions that enable future discovery.

Sensors↗
NASA NTRS2000

On the Modeling of Shells in Multibody Dynamics

Energy preserving/decaying schemes are presented for the simulation of the nonlinear multibody systems involving shell components. The proposed schemes are designed to meet four specific requirements: unconditional nonlinear stability of the scheme, a rigorous treatment of both geometric and material nonlinearities, exact satisfaction of the constraints, and the presence of high frequency numerical dissipation. The kinematic nonlinearities associated with arbitrarily large displacements and rotations of shells are treated in a rigorous manner, and the material nonlinearities can be handled when the, constitutive laws stem from the existence of a strain energy density function. The efficiency and robustness of the proposed approach is illustrated with specific numerical examples that also demonstrate the need for integration schemes possessing high frequency numerical dissipation.

Bauchau, Olivier A.↗
DOE OSTI2025

Building workflows for an interactive human-in-the-loop automated experiment (hAE) in STEM-EELS

Exploring the structural, chemical, and physical properties of matter on the nano- and atomic scales has become possible with the recent advances in aberration-corrected electron energy-loss spectroscopy (EELS) in scanning transmission electron microscopy (STEM). However, the current paradigm of STEM-EELS relies on the classical rectangular grid sampling, in which all surface regions are assumed to be of equal a priori interest. However, this is typically not the case for real-world scenarios, where phenomena of interest are concentrated in a small number of spatial locations, such as interfaces, structural and topological defects, and multi-phase inclusions. One of the foundational problems is the discovery of nanometer- or atomic-scale structures having specific signatures in EELS spectra. Herein, we systematically explore the hyperparameters controlling deep kernel learning (DKL) discovery workflows for STEM-EELS and identify the role of the local structural descriptors and acquisition functions in experiment progression. In agreement with the actual experiment, we observe that for certain parameter combinations the experiment path can be trapped in the local minima. We demonstrate the approaches for monitoring the automated experiment in the real and feature space of the system and knowledge acquisition of the DKL model. Based on these, we construct intervention strategies defining the human-in-the-loop automated experiment (hAE). This approach can be further extended to other techniques including 4D STEM and other forms of spectroscopic imaging. The hAE library is available on Github at https://github.com/utkarshp1161/hAE/tree/main/hAE.

Pratiush, Utkarsh [Univ. of Tennessee, Knoxville, ↗
DOE OSTI2020

Selective One-Dimensional 13 C– 13 C Spin-Diffusion Solid-State Nuclear Magnetic Resonance Methods to Probe Spatial Arrangements in Biopolymers Including Plant Cell Walls, Peptides, and Spider Silk

Two-dimensional (2D) and 3D through-space 13 C– 13 C homonuclear spin-diffusion techniques are powerful solid-state nuclear magnetic resonance (NMR) tools for extracting structural information from 13 C-enriched biomolecules, but necessarily long acquisition times restrict their applications. In this work, we explore the broad utility and underutilized power of a chemical shift-selective one-dimensional (1D) version of a 2D 13 C– 13 C spin-diffusion solid-state NMR technique. The method, which is called 1D dipolar-assisted rotational resonance (DARR) difference, is applied to a variety of biomaterials including lignocellulosic plant cell walls, microcrystalline peptide fMLF, and black widow dragline spider silk. 1D 13 C– 13 C spin-diffusion methods described here apply in select cases in which the 1D 13 C solid-state NMR spectrum displays chemical shift-resolved moieties. Furthermore, this is analogous to the selective 1D nuclear Overhauser effect spectroscopy (NOESY) experiment utilized in liquid-state NMR as a faster (1D instead of 2D) and often less ambiguous (direct sampling of the time domain data, coupled with increased signal averaging) alternative to 2D NOESY. Selective 1D 13 C– 13 C spin-diffusion methods are more time-efficient than their 2D counterparts such as proton-driven spin diffusion (PDSD) and dipolar-assisted rotational resonance. The additional time gained enables measurements of 13 C– 13 C spin-diffusion buildup curves and extraction of spin-diffusion time constants TSD, yielding detailed structural information. Specifically, selective 1D DARR difference buildup curves applied to 13 C-enriched hybrid poplar woody stems confirm strong spatial interaction between lignin and acetylated xylan polymers within poplar plant secondary cell walls, and an interpolymer distance of ~0.45–0.5 nm was estimated. Additionally, Tyr/Gly long-range correlations were observed on isotopically enriched black widow spider dragline silks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Decorrelated singlet and triplet exciton delocalization in acetylene-bridged Zn-porphyrin dimers

The controlled delocalization of molecular excitons remains an important goal towards the application of organic chromophores in processes ranging from light-initiated chemical transformations to classical and quantum information processing. In this study, we present a methodology to couple optical and magnetic spectroscopic techniques and assess the delocalization of singlet and triplet excitons in model molecular chromophores. By comparing the steady-state and time-resolved optical spectra of Zn-porphyrin monomers and weakly coupled dimers, we show that we can use the identity of substituents bound at specific positions of the macromolecules' rings to control the inter-ring delocalization of singlet excitons stemming from their B states through acetylene bridges. While broadened steady-state absorption spectra suggest the presence of delocalized B state excitons in mesityl-substituted Zn-tetraphenyl porphyrin dimers (Zn 2 U-D), we confirm this conclusion by measuring an enhanced ultrafast non-radiative relaxation from these inter-ring excitonic states to lower lying electronic states relative to their monomer. In contrast to the delocalized nature of singlet excitons, we use time-resolved EPR and ENDOR spectroscopies to show that the triplet states of the Zn-porphyrin dimers remain localized on one of the two macrocyclic sub-units. We use the analysis of EPR and ENDOR measurements on unmetallated model porphyrin monomers and dimers to support this conclusion. The results of DFT calculations also support the interpretation of localized triplet states. These results demonstrate researchers cannot conclude triplet excitons delocalize in macromolecular based on the presence of spatially extended singlet excitons, which can help in the design of chromophores for application in spin conversion and information processing technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Dynamic Pressure Probes Developed for Supersonic Flow-Field Measurements

A series of dynamic flow-field pressure probes were developed for use in large-scale supersonic wind tunnels at the NASA Glenn Research Center. These flow-field probes include pitot and static pressure probes that can capture fast-acting flow-field pressure transients occurring on a millisecond timescale. The pitot and static probes can be used to determine local Mach number time histories during a transient event. The flow-field pressure probe contains four major components: 1) Static pressure aerodynamic tip; 2) Pressure-sensing cartridge assembly; 3) Pitot pressure aerodynamic tip; 4) Mounting stem. This modular design allows for a variety of probe tips to be used for a specific application. Here, the focus is on flow-field pressure measurements in supersonic flows, so we developed a cone-cylinder static pressure tip and a pitot pressure tip. Alternatively, probe tips optimized for subsonic and transonic flows could be used with this design. The pressure-sensing cartridge assembly allows the simultaneous measurement of steady-state and transient pressure which allows continuous calibration of the dynamic pressure transducer.

Porro, A. Robert↗
NASA NTRS2001

Guidelines for the Selection of Near-Earth Thermal Environment Parameters for Spacecraft Design

Thermal analysis and design of Earth orbiting systems requires specification of three environmental thermal parameters: the direct solar irradiance, Earth's local albedo, and outgoing longwave radiance (OLR). In the early 1990s data sets from the Earth Radiation Budget Experiment were analyzed on behalf of the Space Station Program to provide an accurate description of these parameters as a function of averaging time along the orbital path. This information, documented in SSP 30425 and, in more generic form in NASA/TM-4527, enabled the specification of the proper thermal parameters for systems of various thermal response time constants. However, working with the engineering community and SSP-30425 and TM-4527 products over a number of years revealed difficulties in interpretation and application of this material. For this reason it was decided to develop this guidelines document to help resolve these issues of practical application. In the process, the data were extensively reprocessed and a new computer code, the Simple Thermal Environment Model (STEM) was developed to simplify the process of selecting the parameters for input into extreme hot and cold thermal analyses and design specifications. In the process, greatly improved values for the cold case OLR values for high inclination orbits were derived. Thermal parameters for satellites in low, medium, and high inclination low-Earth orbit and with various system thermal time constraints are recommended for analysis of extreme hot and cold conditions. Practical information as to the interpretation and application of the information and an introduction to the STEM are included. Complete documentation for STEM is found in the user's manual, in preparation.

Anderson, B. J.↗
DOE OSTI2023

The Atomic Drill Bit: Precision Controlled Atomic Fabrication of 2D Materials

The ability to deterministically fabricate nanoscale architectures with atomic precision is the central goal of nanotechnology, whereby highly localized changes in the atomic structure can be exploited to control device properties at their fundamental physical limit. Here, an automated, feedback-controlled atomic fabrication method is reported and the formation of 1D–2D heterostructures in MoS 2 is demonstrated through selective transformations along specific crystallographic orientations. The atomic-scale probe of an aberration-corrected scanning transmission electron microscope (STEM) is used, and the shape and symmetry of the scan pathway relative to the sample orientation are controlled. The focused and shaped electron beam is used to reliably create Mo 6 S 6 nanowire (MoS-NW) terminated metallic-semiconductor 1D–2D edge structures within a pristine MoS 2 monolayer with atomic precision. From these results, it is found that a triangular beam path aligned along the zig-zag sulfur terminated (ZZS) direction forms stable MoS-NW edge structures with the highest degree of fidelity without resulting in disordering of the surrounding MoS 2 monolayer. Density functional theory (DFT) calculations and ab initio molecular dynamic simulations (AIMD) are used to calculate the energetic barriers for the most stable atomic edge structures and atomic transformation pathways. These discoveries provide an automated method to improve understanding of atomic-scale transformations while opening a pathway toward more precise atomic-scale engineering of materials.

2D materials↗
DOE OSTI2025

On the distribution of stacking faults at dissociated medium-angle grain boundaries: Crystallographic geometry and metastability

Grain boundaries in FCC metals with low stacking-fault energy can form in dissociated configurations of stacking faults. Perhaps the most studied example is 9R stacking at boundaries near Σ3{112}, where the distribution of stacking faults is related to the emission of Shockley partial dislocations. Here, we combine atomic-resolution electron microscopy, atomistic simulations, and dislocation theory to demonstrate that boundaries vicinal to Σ33a support the stabilization of dissociated 9R stacking within a narrow range of inclinations. This boundary is interesting since its misorientation (20.05°) lies in the medium-angle regime, just past the upper misorientation limit for low-angle boundaries, motivating questions for how best to describe it in terms of dislocations. Our HAADF-STEM observations of thin film bicrystals, supported by atomistic modeling, reveal that this inclination dependence arises from specific geometric constraints on the arrangement of Shockley partial dislocations at the interface. Quantification of stacking-fault distributions across multiple boundaries indicates that the density and spacing of faults closely follow the ideal 9R motif, with subtle variations reflecting the complex energy landscape of these boundaries. Through energetic analysis, we establish the presence of competing metastable states enabled by variations in stacking sequences, emphasizing the significant role of crystallographic geometry. We generalize our analysis as a function of misorientation, showing how 9R at the Σ33a boundary is related to previous observations and calculations of HCP at a 29.7° boundary. This study provides a crystallographically grounded framework connecting dislocation structures, stacking-fault distributions, and metastability at grain boundaries in FCC metals.

Atomistic modeling↗
DOE OSTI2022

Measurement of anti- 3 He nuclei absorption in matter and impact on their propagation in the Galaxy

In our Galaxy, light antinuclei composed of antiprotons and antineutrons can be produced through high-energy cosmic-ray collisions with the interstellar medium or could also originate from the annihilation of dark-matter particles that have not yet been discovered. On Earth, the only way to produce and study antinuclei with high precision is to create them at high-energy particle accelerators. Although the properties of elementary antiparticles have been studied in detail, the knowledge of the interaction of light antinuclei with matter is limited. We determine the disappearance probability of 3 $\overline{He}$ when it encounters matter particles and annihilates or disintegrates within the ALICE detector at the Large Hadron Collider. We extract the inelastic interaction cross section, which is then used as an input to the calculations of the transparency of our Galaxy to the propagation of 3 $\overline{He}$ stemming from dark-matter annihilation and cosmic-ray interactions within the interstellar medium. For a specific dark-matter profile, we estimate a transparency of about 50%, whereas it varies with increasing 3 $\overline{He}$ momentum from 25% to 90% for cosmic-ray sources. The results indicate that 3 $\overline{He}$ nuclei can travel long distances in the Galaxy, and can be used to study cosmic-ray interactions and dark-matter annihilation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

An Evening with NASA Scientists and Engineers: A Senior Living Community Outreach Program

Introduction: An Evening with NASA Scientists and Engineers is an outreach program for senior living communities, where participants learn from and interact with a scientist or engineer in a virtual setting. Participants learn about NASA science and engineering through a behind-the-scenes look from the people who work at NASA. The program focuses on both the stories behind the discoveries and the stories behind the people. The audience tunes in to the events via the NASA Zoom Webinar platform, where they have the opportunity to ask questions throughout the approximately 30-minute program. By bringing the audience into the conversation, we build rapport and thus improve their connection with NASA. Overview: An Evening with NASA Scientists and Engineers began in September 2020 when we identified a need for outreach to this particular demographic, as senior living communities had been hit especially hard by the COVID-19 pandemic. The program covers a wide range of topics, including heliophysics, astrophysics, planetary science, Earth science, planetary defense, and more, depending on what is topically appropriate at the time, and occurs on a roughly monthly basis. Each interactive presentation is between 20-25 minutes with 5-10 minutes of dedicated Q&A. Future dates and topics may change depending on new developments to NASA missions and stories. Audience: As of December 2021, we have four regularly attending senior living communities, spanning the East Coast from New Hampshire to Florida, with each joining the overall program at various stages of its development. The ability to reach many different senior living communities is crucial so that a diversity of people may benefit from this program. The audience consists of seniors with varying experience and comprehension levels – some are very familiar with the sciences while others are simply curious to learn more. Residents tune in to each event from their individual rooms or from their larger community rooms. RiverWoods Exeter. The RiverWoods Exeter community was our initial audience who acted as our “guinea pig” to see how this program might be implemented and to work out any major issues. They are located in Exeter, NH but also have two additional campuses in Durham, NH and Manchester, NH, that joined us a few months into the program. Culpepper Garden. Our second community to join the program was Culpepper Garden, a senior living community in Arlington, VA that provides both independent and assisted living housing to low-income seniors. Edinburgh Square. Our third community, Edinburgh Square, connected with us after hearing about the program through Culpepper Garden. Edinburgh Square is an HUD-subsidized retirement community in Roanoke, VA that houses both seniors and those living with disabilities. Moonstruck Astronomy Club. The Moonstruck Astronomy Club consists of residents from the On Top of the World retirement community in Ocala, FL and was the latest senior living community to join us. NASA Zoom Webinar: An Evening with NASA Scientists and Engineers reaches numerous senior living communities through live presentations that we host using the NASA Zoom Webinar virtual platform. Participants are typically already familiar with the Zoom platform which enables a lower barrier to entry. A recording of each talk is added to a designated video playlist on the NASA STEM YouTube channel so that audiences worldwide may view them [1]. These recordings began with our April 1, 2021 presentation, as this was when NASA Zoom Webinar was implemented, thus enabling us to record each talk. Metrics: We record attendance numbers from the senior living communities for each event as well as those from YouTube views after the presentation recording is posted online. Depending on which communities tune in, typical attendance numbers are between 60-100 people. RiverWoods Exeter has the most regularly attending residents, with an average of 55 attendees per event. As of December 2021, we have hosted fourteen events, nine of which were recorded and posted to our designated NASA STEM YouTube Channel playlist. The nine recordings combined have roughly 4,000 YouTube views thus far, with specific videos seeing higher view counts around launch dates (e.g. NASA’s DART mission) and trending topics (e.g. JWST). A list of speakers, topics, and links to presentation recordings is shown in Table 1. Future Program Expansion: Thus far, we have been adding communities on an individual basis. To make this process more streamlined, we are looking into working with senior living community networks and organizations such as LeadingAge [2]. In this manner, we will be able to reach more communities while also making it easier to send and receive relevant information.

S L Tiedeken↗
NASA NTRSDate not supplied

Single-Cell mRNA Sequencing of Bone Marrow Mesenchymal Stem Cell Lineages Shows that Gravity Mechanical Loading Regulates Regenerative Osteogenesis in a CDKN1A-Dependent Manner

Weight-bearing at 1g is increasingly recognized as an important stimulus driving stem cell-based tissue regenerative homeostasis and health. In the bone marrow compartment, mechanical stimuli from gravity can drive osteogenesis from mesenchymal progenitors and hematopoiesis from hematopoietic progenitors. Conversely, hematopoietic monocyte/macrophage progenitors can also be driven into osteoclastogenesis by mechanical unloading in microgravity. Although the cell cycle inhibitor gene Cdkn1a is known to be upregulated in microgravity, the great diversity of stem cell lineages and stages of differentiation in bone marrow, make it difficult to attribute gene expression changes to specific cell types. To overcome this limitation, we used single-cell mRNAseq analyses with both in-vitro and in-vivo strategies, including in-vitro stretch of marrow osteogenic cultures, and in-vivo hindlimb unloading, running wheels, treadmills, and exposure to real microgravity. For in-vitro studies marrow osteoprogenitors from WT and Cdkn1a-null mice were subjected to substrate stretch during osteogenesis, with static cultures simulating unloading. From those experiments we determined Cdkn1a-null cells transition more readily from progenitors to early osteoblasts and further to mineralizing osteoblasts. Additionally, single-cell mRNAseq resolution identified Cdkn1a suppression in response to mechanical loading predominantly in early proliferative osteoblasts rather than progenitor or mineralizing osteoblasts. These findings support the hypothesis that CDKN1A plays a mechano-reversible, anti-proliferative role during bone regenerative osteogenesis. To investigate in-vivo mechanoregulation of osteogenesis, mice were flown in microgravity during the Rodent Research-10 experiment comparing wildtype and Cdkn1a-null mice kept on ISS for 30 days. The mice were euthanized and dissected on-orbit in microgravity and femur bone marrow was collected using a custom sample isolation and live-cell cryo-preservation technique allowing for single cell transcriptomics post-flight processing. Ground control experiments with hindlimb-unloading, running wheels, and treadmills, were also conducted for a comprehensive analysis of mechanical loading effects on the regenerative health of bone tissue and its marrow stem cell progenitor lineages.

single cell sequencing↗
DOE OSTI2024

Accelerating the Electrochemical Formation of the δ Phase in Manganese-Rich Rocksalt Cathodes

Mn-rich disordered rocksalt materials with Li-excess (DRX) materials have emerged as a promising class of earth-abundant and energy-dense next-generation cathode materials for lithium-ion batteries. Recently, an electrochemical transformation to a spinel-like “δ” phase has been reported in Mn-rich DRX materials, with improved capacity, rate capability, and cycling stability compared with previous DRX compositions. However, this transformation unfolds slowly over the course of cycling, complicating the development and understanding of these materials. In this work, it is reported that the transformation of Mn-rich DRX materials to the promising δ phase can be promoted to occur much more rapidly by electrochemical pulsing at elevated temperature, rate, and voltage. To extend this concept, micron-sized single-crystal DRX particles are also transformed to the δ phase by the same method, possessing greatly improved cycling stability in the first demonstration of cycling for large, single-crystal DRX particles. To shed light on the formation and specific structure of the δ phase, X-ray diffraction, scanning electron nanodiffraction (SEND) and atomic resolution STEM-HAADF are used to reveal a nanodomain spinel structure with minimal remnant disorder.

25 ENERGY STORAGE↗
DOE OSTI2025

Demonstrating Hierarchical System Development With the Common Community Physics Package Single‐Column Model: A Case Study Over the Southern Great Plains

This study demonstrates a specific application of the hierarchical system development (HSD) approach to investigate, analyze, and attribute model issues within the Unified Forecast System (UFS), with a focus on process isolation. By evaluating a non‐precipitating, shallow cumulus case at the Atmospheric Radiation Measurement Southern Great Plains site in the UFS global forecast against the observation, the investigation identifies a warmer and deeper daytime convective planetary boundary layer (PBL) and misrepresented nocturnal PBL transition. Hypothesis testing, which employs the Common Community Physics Package (CCPP) single‐column model (SCM) and uses the same physics as the UFS global model, confirms that these issues are attributed to the model physics and initialization. Specifically, misrepresented PBL processes are linked to problematic surface condition and a lack of cloud formation, which may stem from deficiencies in PBL and cloud microphysics parameterizations and their interactions. The UFS initial condition contributes to an earlier, excessively collapsed daytime convective boundary layer and a lack of decoupling between the stable boundary layer and residual layer late in the afternoon. This work introduces an avenue for the community to engage with the application of HSD, along with the CCPP and CCPP SCM, to understand the interplay of model physics, disentangle the roles of model components, as well as facilitate model and forecast improvement.

54 ENVIRONMENTAL SCIENCES↗