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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A Comprehensive Analysis of the Interphasial and Structural Evolution over Long–Term Cycling of Ultrahigh–Nickel Cathodes in Lithium–Ion Batteries

Ultrahigh-Ni layered oxides hold great promise as high-energy-density cathodes at an affordable cost for lithium-ion batteries, yet their practical application is greatly hampered by the poor cyclability. Herein, by employing LiNi 0.94 Co 0.06 O 2 as a model cathode in a full-cell configuration, the interphasial and structural evolution processes of ultrahigh-Ni layered oxides are systematically investigated over the course of their service life (1500 cycles). By applying advanced analytic techniques (e.g., Li-isotope labeling, region-of-interest method), the dynamic chemical evolution on the cathode surface is revealed with spatial resolution, and the correlation between lattice distortion and cathode surface reactivity is established. Benefiting from in situ X-ray diffraction (XRD) analysis, the ultrahigh-Ni layered oxide is demonstrated to undergo dual-phase reaction mechanisms with huge lattice variation, which leads to a decrease in crystallinity and secondary particle pulverization. Furthermore, the critical impact of cathode surface reaction on the graphite anode–electrolyte interphase (AEI) is revealed at nanometer scale, and a universal chemical/physical evolution process of the AEI is illustrated, for the first time. Finally, the practical viability of ultrahigh-Ni layered oxides is demonstrated through Al-doping strategy. Finally, this work presents a comprehensive understanding of the structural and interphasial degradation of ultrahigh-Ni layered oxide cathodes for developing high-energy-density lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Techno-economic and Life Cycle Analysis of MixAlco® Processes for Mixed Alcohol Production from Brown Algae

The need for producing renewable fuels from biomass has increased due to depleting fossil resources and environmental concerns. However, the low fraction of biomass carbon converted to product is an undeniable drawback for most current biofuel productions from fermentation due to undecomposed lignin in biomass composition and carbon loss as CO 2 . In this work, two main production routes of the MixAlco® process, the ketonization route (KR) and esterification route (ER) are evaluated for the mixed alcohol production by brown algae, a third-generation biomass without lignin. A novel fermentation process using syntrophic bacteria consortia (SBC) is developed to produce acetic acid from waste gas produced by KR and ER process. The paper investigates the integrated flowsheet for these alternative routes, using techno-economic and life cycle analysis to compare the minimum selling price and environmental impacts. From TEA, we find that the overall costs for KR and ER are lower than the SBC processes. The cost of ketonization routes is lower than esterification routes. The capital cost and operating cost for the ER+SBC process are the highest. Raw materials and utilities are the two major costs for all the processing routes examined. Here, the MSP for the ER+SBC process is the lowest out of all four routes. ER process performs the best in terms of environmental impacts except in water depletion compared with other processes, while the KR process performs the worst regarding the environmental metrics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Native Mass Spectrometry Analysis of Oligomerization States of Fluorescence Recovery Protein and Orange Carotenoid Protein: Two Proteins Involved in the Cyanobacterial Photoprotection Cycle [Native Mass Spectrometry Analysis of Oligomerization States of FRP and OCP: Two Proteins Involved in the Cyanobacterial Photoprotection Cycle]

Here, the orange carotenoid protein (OCP) and fluorescence recovery protein (FRP) are present in many cyanobacteria, and regulate an essential photoprotection cycle in an antagonistic manner as a function of light intensity. We characterized the oligomerization states of OCP and FRP by using native mass spectrometry, a technique that has the capability of studying native proteins under a wide range of protein concentrations and molecular masses. We found that dimeric FRP (dFRP) is the predominant state at protein concentrations ranging from 3 μM to 180 μM, and that higher order oligomers gradually form at protein concentrations above this range. The OCP, however, demonstrates significantly different oligomerization behavior. Monomeric OCP (mOCP) dominates at low protein concentrations, with an observable population of dimeric OCP (dOCP). The ratio of dOCP to mOCP, however, increases proportionally with the protein concentration. Higher order OCP oligomers form at protein concentrations beyond 10 μM. Additionally, native mass spectrometry coupled with ion mobility allowed us to measure protein collisional cross sections (CCS) and interrogate the unfolding of different FRP and OCP oligomers. We found that monomeric FRP exhibits a one-stage unfolding process, which could be correlated with its C-terminal bent crystal structure. The structural domain compositions of FRP and OCP are compared and discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Determining the Reliability of Measuring Mercury Cycling Gene Abundance with Correlations with Mercury and Methylmercury Concentrations

Methylmercury (MeHg) is a bioaccumulative toxic contaminant in many ecosystems but factors governing its production are poorly understood. Recent work has shown that the anaerobic microbial conversion of mercury (Hg) to MeHg requires the Hg-methylation genes hgcAB and that these genes can be used as biomarkers in PCR-based estimators of Hg-methylator abundance. In an effort to determine reliable methods for assessing hgcA abundance and diversity and linking it to MeHg concentrations, multiple approaches were compared including metagenomic shotgun sequencing, 16S rRNA gene pyrosequencing and cloning/sequencing hgcAB gene products. Hg-methylator abundance was also determined by quantitative hgcA qPCR amplification and metaproteomics for comparison to the above measurements. Samples from eight Hg-contaminated sites were examined over a range of total Hg (HgT; 0.03–14 mg kg-1 wet wt. soil) and MeHg (0.05–27 µg kg-1 wet wt. soil) concentrations. In the metagenome and amplicon sequencing of hgcAB diversity, the Deltaproteobacteria were the dominant Hg-methylators, while Firmicutes and methanogenic Archaea were typically ~50% less abundant. This was consistent with metaproteomics estimates where the Deltaproteobacteria were consistently higher. The 16S rRNA gene pyrosequencing did not have sufficient resolution to identify hgcAB+ species. Metagenomic and hgcAB results were similar for Hg-methylator diversity and showed a tractable relationship between Hg-methylating bacteria and soil Hg concentrations among similar environmental samples. However, clade-specific qPCR-based approaches for hgcA are only appropriate when comparing the abundance of a particular clade across various samples.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Techno-Economic Analysis of an Intensified Integrated Gasification Combined Cycle (IGCC) Power Plant Featuring a Combined Membrane Reactor - Adsorptive Reactor (MR-AR) System

In this work, the novel concept of a combined membrane-adsorptive reactor sequence (MRAR) is developed and implemented in an Integrated Gasification Combined Cycle (IGCC) plant. This novel MR-AR IGCC plant is subsequently analyzed from an economic viewpoint through a techno-economic analysis (TEA) of the proposed plant. This novel design can achieve over 90% carbon capture without the use of a Dual-Stage Selexol unit. The resultant intensified design is more efficient from both an economic and power production perspective than the traditional IGCC plants with pre-combustion Carbon-Capture Storage (CCS) technology. The COMSOL software package is utilized to simulate the MR-AR sequence proposed in this work, and the UNISIM software (HoneywellTM) is used to create an intensified process flowsheet of the proposed MR-AR IGCC plant, which is subsequently heat-integrated. The TEA developed for the MR-AR IGCC power plant will be used to identify the extent of process intensification the proposed design has over the traditional IGCC plants with pre-combustion CCS. Furthermore, the results demonstrate a reduction in both the cost-of-electricity (COE) and in the capital cost of the proposed design over the baseline case.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Molecular Structures of Polymer/Sulfur Composites for Lithium-Sulfur Batteries with Long Cycle Life

Vulcanizedpolyaniline/sulfur (SPANI/S) nanostructures were investigated for Li-S battery applications, but the detailed molecular structures of such composites have not been fully illustrated. In this paper, we synthesize SPANI/S composites with different S content in a nanorod configuration. FTIR, Raman, XPS, XRD, SEM and elemental analysis methods are used to characterize the molecular structure of the materials. We provide clear evidence that a portion of S was grafted on PANI during heating and connected the PANI chains with disulfide bonds to form a crosslinked network and the rest of S was encapsulated within it.. Polysulfides and elementary sulfur nanoparticles are physically trapped inside the polymer network and are not chemically bound to the polymer. The performance of the composites is further improved by reducing the particle size. Even after 500 cycles a capacity retention rate of 68.8% is observed in the SPANI/S composite with 55% S content.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2012

Modeling the Performance of an Algebraic Multigrid Cycle Using Hybrid MPI/OpenMP

The rise of multicore cluster architectures has led to intense interest in using a combination of MPI and OpenMP to more effectively program these machines. We present a performance model for hybrid implementation of the solve cycle of algebraic multigrid (AMG), a popular iterative solver for large sparse linear systems and a key component of many scientific simulations. We validate the model on two leading parallel platforms, and discuss implications for applications programmed in a hybrid model on future machines.

Gahvari, Hormozd↗
DOE OSTI2013

Fe-phyllosilicate redox cycling organisms from a redox transition zone in Hanford 300 Area sediments

Microorganisms capable of reducing or oxidizing structural iron (Fe) in Fe-bearing phyllosilicate minerals were enriched and isolated from a subsurface redox transition zone at the Hanford 300 Area site in eastern Washington, USA. Both conventional and in situ "i-chip" enrichment strategies were employed. One Fe(III)-reducing Geobacter (G. bremensis strain R1, Deltaproteobacteria) and six Fe(II) phyllosilicate-oxidizing isolates from the Alphaproteobacteria (Bradyrhizobium japonicum strains 22, is5, and in8p8), Betaproteobacteria (Cupriavidus necator strain A5-1, Dechloromonas agitata strain is5), and Actinobacteria (Nocardioides sp. strain in31) were recovered. The G. bremensis isolate grew by oxidizing acetate with the oxidized form of NAu-2 smectite as the electron acceptor. The Fe(II)-oxidizers grew by oxidation of chemically reduced smectite as the energy source with nitrate as the electron acceptor. The Bradyrhizobium isolates could also carry out aerobic oxidation of biotite. This is the first report of the recovery of a Fe(II)-oxidizing Nocardioides, and to date only one other Fe(II)-oxidizing Bradyrhizobium is known. The 16S rRNA gene sequences of the isolates were similar to ones found in clone libraries from Hanford 300 sediments and groundwater, suggesting that such organisms may be present and active in situ. Whole genome sequencing of the isolates is underway, the results of which will enable comparative genomic analysis of mechanisms of extracellular phyllosilicate Fe redox metabolism, and facilitate development of techniques to detect the presence and expression of genes associated with microbial phyllosilicate Fe redox cycling in sediments.

enrichment↗
NASA NTRS1983

The simulation of the seasonal cycle of the Southern Hemispheric circulation by the GLAS Seasonal Cycle Model and a comparison to observations

The general circulation of the Southern Hemisphere is quite different from that of the Northern Hemisphere in many important ways. These include the barotropic nature of the stationary waves and the presence of a strong barotropic component to the mean zonal wind, the lack of a strong seasonal dependence of the transient eddies, and the dominant role played by eddies with periods less than 10 days compared to longer period fluctuations. Such differences attest to the importance of the altered nature of the orographic and thermal land-sea forcings in the Southern Hemisphere compared to the Northern Hemisphere. Some of the important features of the Southern Hemisphere circulation as simulated by the GLAS Seasonal Cycle Model (SCM) are presented. The geographical patterns of local variability and their seasonal shifts in the SCM are discussed and compared to observations.

Straus, D. M.↗
NASA NTRS1985

Solar and interplanetary particles at 2 to 4 MEV during solar cycles 21, solar cycle variations of event sizes, and compositions

In This paper 2 to 4 MeV/nucleon protons, alpha particles, and medium (CNO) nuclei in the near-Earth interplanetary medium during the years 1974 to 1981 are studied. This period contains both the solar activity minimum in 1976, and the very active onset phase of Solar Cycle 21. Characteristic compositional differences between the solar minimum and solar maximum ion populations have been investigated. Previous studies of interplanetary composition at these energies have concentrated on well-defined samples of the heliospheric medium. During flare particle events, the ambient plasma is dominated by ions accelerated in specific regions of the solar atmosphere; observation of the proton/alpha and alpha/medium ratios for flare events shows that there is marked compositional variability both during an event and from event to event suggesting the complicated nature of flare particle production and transport.

Armstrong, T. P.↗
NASA NTRS1989

The long-term behavior of the main peak of the dayside ionosphere of Venus during solar cycle 21 and its implications on the effect of the solar cycle upon the electron temperature in the main peak region

Results are presented on the long-term behavior of the main peak electron density in the Venus ionosphere during the solar cycle 21, based on 104 radio occultation measurements of the vertical electron density profile in the dayside ionosphere of Venus carried out aboard the Pioneer Venus Orbiter spacecraft (along with published data on 11 Venera 9-10 measurements). The equation representing the electron temperature at h = 140 km is presented. The results imply that the electron temperature at h = 140 km decreased by about 25 percent from solar maximum to solar minimum, compared to a decrease of 50-75 percent above 200 km found by Kliore and Mullen (1989).

Kliore, Arvydas J.↗