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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Exposure History and its Effect Towards Stabilizing Li Exchange Across Disordered Rock Salt Interfaces

Abstract The application of lithium rich disordered rock salts (DRX) as cathode materials has greatly expanded the materials space for high energy density cathodes. These materials are able to consistently achieve capacities higher than via a complex percolation based intercalation mechanism. Most current DRX materials face significant capacity fade when cycled over an extended period. One of the factors responsible for this could be deleterious side effect of interface reactions between the electrode and electrolyte at high voltage. We aim to focus on one aspect of this interaction, i.e the effect of exposure to electrolyte on the surface and its effect on the electrochemical properties of (LMNOF) powder. LMNOF was systematically treated in an electrolyte solution for varying periods of time at an elevated temperature. Treated samples exhibit surface layer modification (removal of F rich surface layer), leading to a 10 % improvement in the capacity retention behavior of LMNOF. Surface and bulk based measurements indicate an increase in disorder and gradual removal of F and Li. All of these processes mimic an aging process similar to cycling. This a priori formed interface allows for increased stability with respect to retention of capacity and oxygen loss.

Satish, Rohit↗
DOE OSTI2024

Invasions eliminate the legacy effects of substrate history on microbial nitrogen cycling

Abstract Changes in substrate quality driven by climate, land use, or other forms of global change may represent a strong selective force on microbial communities. Invasion of new taxa into a community through dispersal, evolution, or recolonization could impact the outcome of this environmental selection. Here, we simulated substrate change with a trait‐based model of microbial litter decomposition (DEMENTpy) to assess the legacy effects of past substrate quality and the impact of selection by a new substrate on community decomposition activity. Simulations were run with different levels of invasion, including invasion from communities long‐adapted to the new substrate. Legacy effects were evident with substrate change for native communities differing in composition. Protein was the only substrate that exerted a strong enough selective force to affect community composition. Legacy effects disappeared when invaders came from substrates similar to the new substrate. Together, our simulations demonstrate that substrate quality changes associated with global change can lead to legacy effects on substrate degradation. In decomposing plant litter, such legacy effects can occur if substrate inputs shift to higher protein content and if invasion is low.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Impact of nutritional history, prey quality, and quantity on grazing and photophysiological responses in the mixoplanktonic dinoflagellate Karenia brevis

The mixotrophic toxic dinoflagellate Karenia brevis forms red tides almost annually along Florida's Gulf coast. We hypothesize that the nutritional status and abundance of its prey, the picocyanobacterium Synechococcus , will affect its feeding rates and growth responses, with implications for bloom dynamics. This study investigated how prey nutritional quality and quantity (absolute and relative) impact grazing rates by K. brevis initially exponentially growing and in nitrogen (N)-limited conditions, and how grazing, in turn, affects the photophysiological responses of predator and prey. Prey quality was manipulated by providing Synechococcus grown under different ratios of N : phosphorus (P). Synechococcus quality did not significantly affect ingestion rates (measured as prey death rate) but grazing rates increased with increasing prey : grazer ratios (R 2 = 0.7). Compared to control, the growth of exponentially growing grazers doubled when Synechococcus was provided, whereas there was no growth enhancement when Synechococcus of varying qualities was provided to N-limited, chemostat-seeded grazers. Despite this doubled growth, 15 N labeling of the prey and nanoscale secondary ion mass spectrometry (nanoSIMS) detected low Synechococcus -N transfer into grazer biomass after 3 d (< 1% on a cell basis). This suggests the potential of grazers benefiting from alternative N sources (e.g., microbiome-N) or other constituents (e.g., vitamins or metals) not measured in this study. Prey photosynthetic efficiency declined under grazing conditions, demonstrating that grazers can directly affect prey abundance through grazing and indirectly affect prey photophysiology, potentially via allelopathy, supporting previous findings of an inverse relationship between grazers and prey along the Florida Gulf Coast.

Ahn, So Hyun [Univ. of Maryland, Cambridge, MD (Un↗
DOE OSTI2020

A History of Molecular Level Analysis of Natural Organic Matter by FTICR Mass Spectrometry and The Paradigm Shift in Organic Geochemistry

Natural organic matter (NOM) is a complex mixture of biogenic molecules resulting from the deposition and transformation of plant and animal matter. It has long been recognized that NOM plays an important role in many geological, geochemical, and environmental processes. Of particular concern is the fate of NOM in response to a warming climate in environments that have historically sequestered carbon (e.g., peatlands and swamps) but may transition to net carbon emitters. In this review, we will highlight developments in the application of high-field Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) in identifying the individual components of complex NOM mixtures, focusing primarily on the fraction that is dissolved in natural waters (dissolved organic matter or DOM). We will first provide some historical perspective on developments in FTICR technology that made molecular-level characterizations of DOM possible. In conclusion, a variety of applications of the technique will then be described, followed by our view of the future of high-field FTICR MS in carbon cycling research, including a particularly exciting metabolomic approach.

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

Investigation of process history and underlying phenomena associated with the synthesis of plutonium oxides using Vector Quantizing Variational Autoencoder

Accurate, high throughput, and unbiased analysis of plutonium oxide particles is needed for analysis of the phenomenology associated with process parameters in their synthesis. Compared to qualitative and taxonomic descriptors, quantitative descriptors of particle morphology through scanning electron microscopy (SEM) have shown success in analyzing process parameters of uranium oxides. Among other candidates, a neural network called a Vector Quantizing Variational Autoencoder (VQ-VAE) has shown the ability to quantitatively describe particle morphology to attain >85% accuracy in identifying uranium oxide processing routes. We utilize a VQ-VAE to quantitatively describe plutonium dioxide (PuO 2 ) particles created in a designed experiment and investigate their phenomenology and prediction of their process parameters. PuO 2 was calcined from Pu(III) oxalates that were precipitated under varying synthetic conditions that related to concentrations, temperature, addition and digestion times, precipitant feed, and strike order; the surface morphology of the resulting PuO 2 powders were analyzed by SEM. A pipeline was developed to extract and quantify useful image representations for individual particles with the VQ-VAE, then further reduce the dimensionality of the feature space using a bottlenecking neural network fit to perform multiple classification tasks simultaneously. The reduced feature space could predict process parameters with greater than 80% accuracies for some parameters with a single particle. They also showed utility for grouping particles with similar surface morphology characteristics together. Both the clustering and classification results reveal valuable information regarding which chemical process parameters chiefly influence the PuO 2 particle morphologies: strike order and oxalic acid feedstock. Doing the same analysis with multiple particles was shown to improve the classification accuracy on each process parameter over the use of a single particle, with statistically significant results generally seen with as few as four particles in a sample.

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

Out-of-distribution detection with non-parametric density estimation for models predicting processing history of uranium ore concentrates

The rapid advancement in machine learning (ML) and computer vision (CV) coincides with the growth of interest in deploying these ML/CV models in numerous fields from medicine to social science. Similar to those areas, we have witnessed a great number of works in materials science employing ML/CV models – neural networks in particular – in their studies in recent years. These models have proven to obtain accurate performance in various tasks. However, these models struggle to attain a similar performance when encountering test samples coming from a distribution that is different from the training set. More importantly, they fail without providing any warning to the users. Therefore, we propose a framework for detecting out-of-distribution (OOD) samples to alert users when a human intervention might be necessary in this work. Specifically, we explore the use of a non-parametric density estimation method to detect OOD samples. Here, we assess OOD detection capability of the proposed framework on ML models developed for categorizing precipitation routes of U 3 O 8 when encountering OOD datasets that contain samples (1) undergone different imaging acquisition process, (2) undergone different material synthesis process, and (3) different materials than ID set. Through those experiments, we achieve an average area under the receiver operating characteristic (AUROC) of at least 91% on average in detecting OOD samples. With minimal overhead cost and superior performance, the proposed framework enables a reliable and safe system when deploying in real-world scenarios.

Convolutional neural networks↗
DOE OSTI2025

History, present status, and future directions of vanadium alloys for fusion reactors

Since the need for low-activation fusion reactor materials was recognized in the mid-1980s, vanadium alloys have been researched and developed as promising candidates for blanket structural materials. Vanadium alloys are non-ferromagnetic and ductile materials and thus have advantages different from other candidates. However, since vanadium alloys are still at a premature industrial stage, research and development have been carried out not only on issues specific to fusion reactors but also on those related to industrial materials. Blankets using vanadium alloys as structural materials and liquid Li as a tritium breeder and coolant (self-cooled V/Li blankets) have unique characteristics, and research and development of issues specific to V/Li blankets have been conducted in conjunction with the development of vanadium alloys. In this paper, the progress of this research and development is reviewed, and the remaining issues are pointed out. As a result, the future direction of vanadium alloy research and development is discussed, considering recent changes in the environment surrounding fusion energy.

Liquid Li blanket↗
DOE OSTI2020

Petrogenesis, alteration, and shock history of intermediate shergottite Northwest Africa 7042: Evidence for hydrous magmatism on Mars?

We report Northwest Africa (NWA) 7042 is an intermediate, permafic shergottite consisting of two generations of zoned olivine (early olivine Fo 41-76 , and late-stage olivine Fo 46-56 ), complexly zoned pyroxene (En 35-64 Fs 22-46 Wo 5-34 ), maskelynitized feldspar and shock melt (An 5-30 Ab 16-61 Or 1-47 ), and accessory merrillite, apatite, ilmenite, titanomagnetite, Fe-Cr-Ti spinels, pyrrhotite, and baddeleyite. The olivine grains have been pervasively altered resulting in orange-brown stained cores with dark-brown margins, surrounded by significantly less altered overgrowth rims. This textural relationship suggests that the alteration of the cores took place at magmatic temperatures prior to crystallization of the rims on Mars. While this type of olivine alteration is rare in shergottites, it is similar to deuterically altered olivine in basalts and gabbros on Earth, caused by residual water-rich magmatic fluids. Launch-generated shock veins in NWA 7042 crosscut and displace several of the altered olivine grains indicating that the alteration occurred before ejection of the meteorite from Mars. However, NWA 7042 has also been subjected to extensive terrestrial weathering, with terrestrial calcite/barite veins occurring throughout the sample. Transmission electron microscopy analysis of the olivine alteration also reveals an absence of high-temperature phases typically associated with hydrous deuteric alteration on Earth, complicating our interpretation. The potential presence of deuterically altered olivine in NWA 7042 has significant implications, as it is the third martian meteorite where deuteric alteration of olivine has been observed (the others being NWA 10416, ALH 77005). The different mantle sources for the parental melts of these three meteorites would suggest many, if not all martian mantle reservoirs have the potential to produce water-rich magmas.

58 GEOSCIENCES↗
DOE OSTI2022

The effects of field history on magnetic skyrmion formation in [Pt/Co/Ir] 3 multilayers

Here, we report on the formation of Néel-type magnetic bubble skyrmions at room temperature in [Pt/Co/Ir] 3 multilayered thin films after an in-plane magnetic field treatment. Polar magneto-optical Kerr Effect (p-MOKE) microscopy images show that the dendritic magnetic configurations observed after AC demagnetization evolve into magnetic bubble skyrmions after the application and subsequent removal of an in-plane magnetic field. Micromagnetic simulations were used to systematically investigate the role of the in-plane magnetic field magnitude, misalignment of the sample, and the Dzyaloshinskii-Moriya interactions (DMI) in generating bubble skyrmions during the field treatment. The simulations show that in-plane fields slightly below the saturation field are the most effective at producing skyrmions, and, furthermore, a small field angle away from the sample plane not only leads to improved skyrmion formation but also provides a means to select the skyrmion polarity where the direction of the out-of-plane component of the field is opposite to the direction of the skyrmion cores. This field treatment scheme leads to a simple and reliable way to create magnetic bubble skyrmions in multilayered thin films with DMI.

36 MATERIALS SCIENCE↗