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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Component effects on crystallization of RE-containing aluminoborosilicate glass

Lanthanide-aluminoborosilicate (LABS) glass is one option for immobilizing rare earth (RE) oxide fission products generated during reprocessing of pyroprocessed fuel. This glass system can accommodate a high loading of RE oxides and has excellent chemical durability. The present study describes efforts to model equilibrium crystallinity as a function of glass composition and temperature as well as liquidus temperature (TL) as a function of glass composition. The experimental method for determining TL was ASTM C1720-11. Typically, three crystalline phases were formed in each glass: Ce-borosilicate (Ce 3 BSi 2 O 10 ), mullite (Al 10 Si 2 O 19 ), and corundum (Al 2 O 3 ). Cerianite (CeO 2 ) was a common minor crystalline phase and Nd-silicate (Nd 2 Si 2 O 7 ) occurred in some of the glasses. In the composition region studied, TL decreased as SiO 2 and B 2 O 3 fractions increased and strongly increased with increasing fractions of RE oxides; Al 2 O 3 had a moderate effect on the TL but, as expected, it strongly affected the precipitation of Alcontaining crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evolution and interplay of lithium metal interphase components revealed by experimental and theoretical studies

ABSTRACT: Lithium metal batteries (LMB) have high energy densities and are crucial for clean energy solutions. The characterization of lithium metal interphase is fundamentally and practically important but technically challenging. Taking advantage of synchrotron x-ray which has the unique capability of analyzing crystalline/amorphous phases quantitative-ly with statistical significance, we study the composition and dynamics of LMB interphase for a newly developed im-portant LMB electrolyte that is based on fluorinated ether. Pair distribution function analysis revealed the sequential role of anion and solvent in interphase formation during cycling. The relative ratio between Li2O and LiF first increases and then decreases during cycling, suggesting suppressed Li2O formation in both initial and long extended cycles. Theoretical studies revealed that in initial cycles, this is due to the energy barrier in many-electron transfer. In long extended cycles, the anion decomposition product Li2O encourages solvent decomposition by facilitating solvent adsorption on Li2O which is followed by concurrent depletion of both. This work highlights the important role of Li2O in transitioning from anion-derived interphase to a solvent-derived one.

Tan, Sha↗
DOE OSTI2019

Multi-component background learning automates signal detection for spectroscopic data

Abstract Automated experimentation has yielded data acquisition rates that supersede human processing capabilities. Artificial Intelligence offers new possibilities for automating data interpretation to generate large, high-quality datasets. Background subtraction is a long-standing challenge, particularly in settings where multiple sources of the background signal coexist, and automatic extraction of signals of interest from measured signals accelerates data interpretation. Herein, we present an unsupervised probabilistic learning approach that analyzes large data collections to identify multiple background sources and establish the probability that any given data point contains a signal of interest. The approach is demonstrated on X-ray diffraction and Raman spectroscopy data and is suitable to any type of data where the signal of interest is a positive addition to the background signals. While the model can incorporate prior knowledge, it does not require knowledge of the signals since the shapes of the background signals, the noise levels, and the signal of interest are simultaneously learned via a probabilistic matrix factorization framework. Automated identification of interpretable signals by unsupervised probabilistic learning avoids the injection of human bias and expedites signal extraction in large datasets, a transformative capability with many applications in the physical sciences and beyond.

Ament, Sebastian E.↗
DOE OSTI2014

Differentiating the role of lithium and oxygen in retaining deuterium on lithiated graphite plasma-facing components

Laboratory experiments have been used to investigate the fundamental interactions responsible for deuterium retention in lithiated graphite. Oxygen was found to be present and play a key role in experiments that simulated NSTX lithium conditioning, where the atomic surface concentration can increase to >40% when deuterium retention chemistry is observed. Quantum-classical molecular dynamic simulations elucidated this oxygen-deuterium effect and showed that oxygen retains significantly more deuterium than lithium in a simulated matrix with 20% lithium, 20% oxygen, and 60% carbon. Simulations further show that deuterium retention is even higher when lithium is removed from the matrix. Experiments artificially increased the oxygen content in graphite to ∼16% and then bombarded with deuterium. X-ray photoelectron spectroscopy showed depletion of the oxygen and no enhanced deuterium retention, thus demonstrating that lithium is essential in retaining the oxygen that thereby retains deuterium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗