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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Redox states of Desulfovibrio vulgaris DsrC, a key protein in dissimilatory sulfite reduction

Highlights: •DsrC is known to interact with the dissimilatory sulfite reductase enzyme (DsrAB). •We show that, however, most cellular DsrC is not associated with DsrAB. •A gel-shift assay was developed that allows monitoring of the DsrC redox state. •The DsrC intramolecularly oxidized state could only be produced by arginine treatment. -- Abstract: Dissimilatory reduction of sulfite is carried out by the siroheme enzyme DsrAB, with the involvement of the protein DsrC, which has two conserved redox-active cysteines. DsrC was initially believed to be a third subunit of DsrAB. Here, we report a study of the distribution of DsrC in cell extracts to show that, in the model sulfate reducer Desulfovibrio vulgaris, the majority of DsrC is not associated with DsrAB and is thus free to interact with other proteins. In addition, we developed a cysteine-labelling gel-shift assay to monitor the DsrC redox state and behaviour, and procedures to produce the different redox forms. The oxidized state of DsrC with an intramolecular disulfide bond, which is proposed to be a key metabolic intermediate, could be successfully produced for the first time by treatment with arginine.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Structural integrity--Searching the key factor to suppress the voltage fade of Li-rich layered cathode materials through 3D X-ray imaging and spectroscopy techniques

Li-rich layered materials are important cathode compounds used in commercial lithium ion batteries, which, however, suffers from some drawbacks including the so-called voltage fade upon electrochemical cycling. Here, our study employs novel transmission X-ray microscopy to investigate the electrochemical reaction induced morphological and chemical changes in the Li-rich Li 2 Ru 0.5 Mn 0.5 O 3 cathode particles at the meso to nano scale. We performed combined X-ray spectroscopy, diffraction and microscopy experiments to systematically study this cathode material's evolution upon cycling as well as to establish a comprehensive understanding of the structural origin of capacity fade through 2D and 3D fine length scale morphology and heterogeneity change of this material. This work suggests that atomic manipulation (e.g. doping, substitution etc.) or nano engineering (e.g. nano-sizing, heterogeneous structure) are important strategies to mitigate the internal strain and defects induced by extensive lithium insertion/extraction. It also shows that maintaining the structural integrity is the key in designing and synthesizing lithium-rich layered materials with better cycle stability.

25 ENERGY STORAGE↗
DOE OSTI2017

Measurement of key resonance states for the P 30 ( p , γ ) S 31 reaction rate, and the production of intermediate-mass elements in nova explosions

We report the first experimental constraints on spectroscopic factors and strengths of key resonances in the P-30(p, gamma)S-31 reaction critical for determining the production of intermediate-mass elements up to Ca in nova ejecta. The P-30(d,n)S-31 reaction was studied in inverse kinematics using the GRETINA gamma-ray array to measure the angle-integrated cross-sections of states above the proton threshold. In general, negative parity states are found to be most strongly produced but the absolute values of spectroscopic factors are typically an order of magnitude lower than predicted by the shell-model calculations employing WBP Hamiltonian for the negative-parity states. The results clearly indicate the dominance of a single 3/2(-) resonance state at 196 keV in the region of nova burning T approximate to 0.10-0.17 GM, well within the region of interest for nova nucleosynthesis. Hydrodynamic simulations of nova explosions have been performed to demonstrate the effect on the composition of nova ejecta.

Kankainen, A. (ORCID:0000000310827602)↗
DOE OSTI2015

The effect of the morphology of supported subnanometer Pt clusters on the first and key step of CO 2 photoreduction [Morphology effect of supported subnanometer Pt clusters on first and key step of CO 2 photoreduction]

In this study, using density functional theory calculations, we investigate the influence of size-dependent cluster morphology on the synergistic catalytic properties of anatase TiO 2 (101) surfaces decorated with subnanometer Pt clusters. Focusing on the formation of the key precursor in the CO 2 photoreduction reaction (bent CO 2 – ), we find that flatter (2D-like) Pt clusters that “wet” the TiO 2 surface offer significantly less benefit than 3D-like Pt clusters. We attribute the differences to three factors. First, the 3D clusters provide a greater number of accessible Pt–TiO 2 interfacial sites with geometries that can aid CO 2 bond bending and charge transfer processes. Second, binding competition among each Pt–CO 2 bonding interaction mitigates maximum orbital overlaps, leading to insufficient CO 2 binding. Third and also most interestingly, the 3D clusters tend to possess higher structural fluxionality than the flatter clusters, which is shown to correlate positively with CO2 binding strength. The preferred morphology adopted by the clusters depends on several factors, including the cluster size and the presence of oxygen vacancies on the TiO 2 surface; this suggests a strategy for optimizing the synergistic effect between Pt clusters and TiO 2 surfaces for CO 2 photocatalysis. Clusters of ~6–8 atoms should provide the largest benefit, since they retain the desired 3D morphology, yet are small enough to exhibit high structural fluxionality. Electronic structure analysis provides additional insight into the electronic motivations for the enhanced binding of CO 2 on TiO 2 -supported 3D Pt clusters, as well as suppressed binding on flattened, 2D-like clusters.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Key findings and remaining questions in the areas of core-concrete interaction and debris coolability

The reactor accidents at Fukushima-Dai-ichi have rekindled interest in late phase severe accident behavior involving reactor pressure vessel breach and discharge of molten core melt into the containment. Two technical issues of interest in this area include core-concrete interaction and the extent to which the core debris may be quenched and rendered coolable by top flooding. The OECD-sponsored Melt Coolability and Concrete Interaction (MCCI) programs at Argonne National Laboratory included the conduct of large scale reactor material experiments and associated analysis with the objectives of resolving the ex-vessel debris coolability issue, and to address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. These tests provided a broad database to support accident management planning, as well as the development and validation of models and codes that can be used to extrapolate the experiment results to plant conditions. This paper provides a high level overview of the key experiment results obtained during the program. Finally, a discussion is also provided that describes technical gaps that remain in this area, several of which have arisen based on the sequence of events and operator actions during Fukushima.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Comparing ecosystem and soil respiration: Review and key challenges of tower-based and soil measurements

The net ecosystem exchange (NEE) is the difference between ecosystem CO2 assimilation and CO2 losses to the atmosphere. Ecosystem respiration (Reco), the efflux of CO2 from the ecosystem to the atmosphere, includes the soil-to-atmosphere carbon flux (i.e., soil respiration; Rsoil) and aboveground plant respiration. Therefore, Rsoil is a fraction of Reco and by definition has to be smaller than Reco at annual, seasonal and daily scales. However, several studies estimating Reco with the eddy covariance technique and measuring Rsoil within the footprint of the tower have reported higher Rsoil than Reco at different time scales. Here, we compare four different and contrasting ecosystems (from forest to grasslands, and from boreal to semiarid) to study whether, and under what conditions, measurements of Reco are lower than Rsoil. In general, both fluxes showed similar temporal patterns, but Reco was not consistently higher than Rsoil from daily to annual scales across sites. We identified several issues that apply for measuring NEE and measuring/upscaling Rsoil that could result in an underestimation of Reco and/or an overestimation of Rsoil. These issues are discussed based on (a) nighttime measurements of NEE, (b) Rsoil measurements, and (c) the interpretation of the functional relationships of these fluxes with temperature (i.e., Q10). We highlight that there is still a need for better integration of Rsoil with eddy covariance measurements to address challenges related to spatial and temporal variability of Reco and Rsoil.

Barba, Josep↗
DOE OSTI2020

Key Questions for the Quantum Machine Learner to Ask Themselves

Within the last several years quantum machine learning (QML) has begun to mature; however, many open questions remain. Rather than review open questions, in this perspective piece I will discuss my view about how we should approach problems in QML. In particular I will list a series of questions that I think we should ask ourselves when developing quantum algorithms for machine learning. These questions focus on what the definition of quantum ML is, what is the proper quantum analogue of QML algorithms is, how one should compare QML to traditional ML and what fundamental limitations emerge when trying to build QML protocols. As an illustration of this process I also provide information theoretic arguments that show that amplitude encoding can require exponentially more queries to a quantum model to determine membership of a vector in a concept class than classical bit-encodings would require; however, if the correct analogue is chosen then both the quantum and classical complexities become polynomially equivalent. This example underscores the importance of asking ourselves the right questions when developing and benchmarking QML algorithms.

Wiebe, Nathan O.↗
DOE OSTI2015

Lepton number violation as a key to low-scale leptogenesis

We explore the possibility of having a successful leptogenesis through oscillations between new sterile fermion states added to the Standard Model field content in a well motivated framework, naturally giving rise to the required mass splitting between the sterile states through a small total lepton number violation. We propose a framework with only two sterile states forming a pseudo-Dirac state, in which their mass difference as well as the smallness of the neutrino masses are due to two sources of lepton number violation with ΔL=2, corresponding to an Inverse Seesaw framework extended by a Linear Seesaw mass term. We also explore the pure Inverse Seesaw mechanism in its minimal version, requiring at least four new sterile states in order to comply with neutrino data. Our analytical and numerical studies reveal that one can have a successful leptogenesis at the temperature of the electroweak scale through oscillations between the two sterile states with a “natural” origin of the strong degeneracy in their mass spectrum. We also revisit the analytical expression of the baryon asymmetry of the Universe in the weak washout regime of this framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗