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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Association Mapping of Cell Wall Synthesis Regulatory Genes and Cell Wall Quality in Switchgrass

Inefficient conversion of biomass to biofuels is one of the main barriers for biofuel production from such materials. Approximately half of polysaccharides in biomass remain unused by typical biochemical conversion methods. Conversion efficiency is influenced by the composition and structure of cell walls of biomass. Grasses such as wheat, maize, and rice, as well as dedicated perennial bioenergy crops, like switchgrass, make up ~55% of biomass that can be produced in the United States. Grass cell walls have a different composition and patterning compared with dicotyledonous plants, including the well-studied model plant, Arabidopsis. This project identified genetic determinants of cell wall composition in grasses using both naturally occurring genetic variation of switchgrass and gene network reconstruction and functional assays in rice. In addition, the project linked functional data in rice and other species to switchgrass improvement efforts through curation of the most abundant class of regulators in the switchgrass genome. Characterizing natural diversity of switchgrass for variation in cell wall composition and properties, also known as quality, provides an unbiased avenue for identifying biologically viable diversity in switchgrass cell walls. To characterizing natural diversity, this project generated cell wall composition and enzymatic deconstruction data for ~450 genotypes of the Switchgrass Southern Association Collection (SSAC), a diverse collection composed of 36 switchgrass accessions from the southern U.S. distribution of switchgrass. Comparing these data with other measures of cell wall quality for the same samples demonstrated the complementary nature of the diverse characterization platforms now being used for biomass characterization. Association of the composition data with ~3.2K single nucleotide variant markers identified six significant single nucleotide variant markers co-associated with digestibility and another compositional trait. These markers might be used to select switchgrass genotypes with improved composition in breeding programs for biofuel and forage production. Because the SSAC continues to be characterized by collaborators in the bioenergy community, the data generated will be used to identify additional markers in higher resolution genotyping data to approach identifying the genes and alleles that cause natural variation in switchgrass cell wall quality. For example, these markers can be surveyed in the 2100-member Oklahoma Southern and Northern Lowland switchgrass collections that this project also characterized. An orthogonal approach to biodiversity studies, using comparative functional genomics permits systematic querying of how much regulatory information is likely to be transferable from dicots to grasses and use of accumulated functional genomics resources for better-characterized grass species, such as rice, itself a biomass source in global agriculture and in certain regions. The project generated and tested a number of specific hypotheses regarding cell wall transcription factors and enzymes of grasses. To aid identification of cell wall regulators, the project assembled a novel, highdepth and -quality gene association network using a general linearized model scoring system to combine rice gene network data. Using known or putative orthologs of Arabidopsis cell wall biosynthesis genes and regulators, the project pulled from this network a cell wall sub-network that includes 96 transcription factors. Reverse genetics of a co-ortholog of the Arabidopsis MYB61 transcription factor in rice revealed that this regulatory node has evolved the ability to regulate grass-specific cell wall synthesis enzymes. A transcription factor with such activity has not been previously characterized to our knowledge, representing a major conclusion of this work. Changes in gene expression in a protoplast-based assay demonstrated positive or negative roles in cell wall regulation for eleven other transcription factors from the rice gene network. Eight of fifteen (53%) of these have not previously been examined for this function. Some of these may represent novel grass-diverged cell wall regulators, while others are likely to have this function across angiosperms. A parallel effort of this project to expand knowledge of enzymes that have evolved to function in grass cell wall synthesis, revealed that a grass-diverged enzyme in rice, OsAT 5 , ferulates monolignols that are naturally incorporated into grass cell walls. This finding opens potential natural selection avenues for improving biomass composition for downstream processing by weak base pretreatment. Thus, this project has significantly expanded knowledge of cell wall synthesis and regulation in rice, information that can be used in reverse genetics and synthetic biology approaches to re-engineer cell walls for improved production of biofuel and high-value products. To lay the foundation for translating these results directly for switchgrass improvement, the project employed a comparative phylogenetic analysis of the major group of cell wall transcription factors that have been found to function in cell wall regulation, the R 2 R 3 MYBs. This analysis concluded that known cell wall regulators are largely conserved across switchgrass, rice, maize, poplar, and Arabidopsis. This interpretation is also largely consistent with the gene network analysis described above, though both approaches provide evidence that some co-orthologs of Arabidopsis regulators have diminished or increased in importance based on gene expression patterns. Also, several clades containing dicot cell wall regulators have expanded, consistent with the evolution of new cell wall regulators. This latter result is supported by functional analysis of the R 2 R 3 MYB protein SWAM 1 in a collaboration between this project and the DOE-funded group of Dr. S. Hazen at the University of Massachusettes. The curation of the switchgrass genome through this project provides specific targets for future engineering of switchgrass cell wall regulation and may also facilitate identification of regulators that underlie the molecular markers that are genetically linked to differences in cell wall quality. With the goal of spurring further research and technological developments in lignocellulosic biofuel production, this work has been communicated to the bioenergy and cell wall communities though various presentations and publications. To date, three manuscripts have been published, two others are near to publication, three others are in an advanced state, and two to four more are likely to be written based on analyses still in progress. In addition, project participants have presented thirteen posters and talks at regional, national, and international meetings about aspects of this project. In sum, the work supported by this funding has made and communicated significant progress in identifying the genes that grasses use for cell wall synthesis and regulation, information that will be used by project participants and others to improve the efficiency of conversion of lignocellulosic biomass to biofuels.

09 BIOMASS FUELS↗
NASA NTRS2019

Magnetic Flux Cancelation as the Buildup and Trigger Mechanism for CME-Producing Eruptions in Two Small Active Regions

We follow two small, magnetically isolated CME (Coronal Mass Ejection)-producing solar active regions (ARs) from the time of their emergence until several days later, when their core regions erupt to produce the CMEs. In both cases, magnetograms show: (a) following an initial period where the poles of the emerging regions separate from each other, the poles then reverse direction and start to retract inward; (b) during the retraction period, flux cancelation occurs along the main neutral line of the regions, (c) this cancelation builds the sheared core field/flux rope that eventually erupts to make the CME. In the two cases, respectively 30 percent and 50 percent of the maximum flux of the region cancels prior to the eruption. Recent studies indicate that solar coronal jets frequently result from small-scale filaments eruptions (Sterling et al. 2015), with those “minifilament” eruptions also being built up and triggered by cancelation of magnetic flux (Panesar et al. 2016). Together, the small-AR eruptions here and the coronal jet results suggest that isolated bipolar regions tend to erupt when some threshold fraction, perhaps in the range of 50 percent, of the region’s maximum flux has canceled. Our observed erupting filaments/flux ropes form at sites of flux cancelation, in agreement with previous observations. Thus, the recent finding that minifilaments that erupt to form jets also form via flux cancelation is further evidence that minifilaments are small-scale versions of the long-studied full-sized filaments. (Details are in Sterling et al. 2018, ApJ, 864, 68.) Supported by NASA's Heliophysics Guest Investigators (HGI) Program and the MSFC (Marshall Space Flight Center)/Hinode project.

Sterling, Alphonse C.↗
NASA NTRS2017

Atmospheric Capture On Mars (and Processing)

The ultimate destination of NASA's human exploration program is Mars. In Situ Resource Utilization (ISRU) is a key technology required to enable such missions, as first proposed by Prof. Robert Ash in 1976. This presentation will review progress in the systems required to produce rocket propellant, oxygen, and other consumables on Mars using the carbon dioxide atmosphere and other potential resources. For many years, NASA, commercial companies, and academia have been developing, and demonstrating techniques to capture and purify Martian atmospheric gases for their utilization for the production of hydrocarbons, oxygen, and water in ISRU systems. Other gases will be required to be separated from Martian atmospheric gases to provide pure CO2 for processing elements. Significant progress has been demonstrated in CO2 collection via adsorption by molecular sieves, freezing, and direct compression. Early stage work in adsorption in Ionic Liquids followed by electrolysis to oxygen is also underway. In addition, other Martian gases, such as nitrogen and argon, occur in concentrations high enough to be useful as buffer gas and could be captured as well. Gas separation requirements include, but are not limited to the selective separation of: (1) methane and water from unreacted carbon oxides (CO2-CO) and hydrogen typical of a Sabatier-type process, (2) carbon oxides and water from unreacted hydrogen from a Reverse Water-Gas Shift process, and (3) carbon oxides from oxygen from a trash/waste processing reaction.

propellant production↗
NASA NTRS2012

Electrolytes for Use in High Energy Lithium-ion Batteries with Wide Operating Temperature Range

Met programmatic milestones for program. Demonstrated improved performance with wide operating temperature electrolytes containing ester co-solvents (i.e., methyl butyrate) containing electrolyte additives in A123 prototype cells: Previously demonstrated excellent low temperature performance, including 11C rates at -30 C and the ability to perform well down to -60 C. Excellent cycle life at room temperature has been displayed, with over 5,000 cycles being demonstrated. Good high temperature cycle life performance has also been achieved. Demonstrated improved performance with methyl propionate-containing electrolytes in large capacity prototype cells: Demonstrated the wide operating temperature range capability in large cells (12 Ah), successfully scaling up technology from 0.25 Ah size cells. Demonstrated improved performance at low temperature and good cycle life at 40 C with methyl propionate-based electrolyte containing increasing FEC content and the use of LiBOB as an additive. Utilized three-electrode cells to investigate the electrochemical characteristics of high voltage systems coupled with wide operating temperature range electrolytes: From Tafel polarization measurements on each electrode, it is evident the NMC-based cathode displays poor lithium kinetics (being the limiting electrode). The MB-based formulations containing LiBOB delivered the best rate capability at low temperature, which is attributed to improved cathode kinetics. Whereas, the use of lithium oxalate as an additive lead to the highest reversible capacity and lower irreversible losses.

low temperature batteries↗
NASA NTRS2001

Reverse Micelle Based Synthesis of Microporous Materials in Microgravity

Microporous materials include a large group of solids of varying chemical composition as well as porosity. These materials are characterized by channels and cavities of molecular dimensions. The framework structure is made up of interconnecting T-O-T' bonds, where T and T' can be Si, Al, P, Ga, Fe, Co, Zn, B and a host of other elements. Materials with Si-O-Al bonding in the framework are called zeolites and are extensively used in many applications. Ion-exchange properties of these materials are exploited in the consumer and environmental industries. Chemical and petroleum industries use zeolites as catalysts in hydrocarbon transform ations. Synthesis of new microporous frameworks has led to the development of new technologies, and thus considerable effort worldwide is expended in their discovery. Microporous materials are typically made under hydrothermal conditions. Influence of nature of starting reactants, structure directing agents, pH, temperature, and aging all have profound influence on the synthesis process. This is primarily because the most interesting open frameworks are not necessarily the stable structures in the reaction medium. Thus, the discovery of new frameworks is often tied to finding the right composition and synthesis conditions that allow for kinetic stabilization of the structure. This complexity of the synthesis process and limited understanding of it has made it difficult to develop directed is of microporous materials and most advances in this field have been made by trial and error. The basic issues in crystal growth of these materials include: (1) Nature of the nucleation process; (2) Molecular structure and assembly of nuclei; (3) Growth of nuclei into crystals; (4) Morphology control; and (5) Transformation of frameworks into other structures. The NASA-funded research described in this paper focuses on all the above issues and has been described in several publications. We present the highlights of our program, especially with the focus on possible experiments in microgravity.

Dutta, Prabir K.↗
DOE OSTI2020

Distonic radical anion species in cysteine oxidation processes

Oxidation of cysteine residues constitutes an important regulatory mechanism in the function of biological systems. Much of this behavior is controlled by the specific chemical properties of the thiol side-chain group, where reac-tions with reactive oxygen species take place. Herein, we in-vestigated the entire cysteine oxidation cycle Cys-SH ? Cys-SOnH (n = 1, 2, 3) using cryogenic negative ion photoelectron spectroscopy and quantum-chemical calculations. The conven-tional view on the first reversible oxidation step (n = 1) is as-sociated with sulfinate species. Yet our results indicate that an alternative option exists in the form of novel distonic radical anion •OS-CH2CH(NH2)-COO- with an unpaired electron on the thiol group and excess negative charge on the carboxylate. Higher order oxidation states (n = 2, 3) are thought to be asso-ciated with irreversible oxidative damage, and our results show that excess negative charge in those cases migrates to -SOn- group. Furthermore, these species are stable towards 1e oxidation, as opposed to the n = 1 case that undergoes intra-molecular proton transfer. The molecular level insights report-ed in this work provide direct spectroscopic evidences towards unique chemical versatility of Cys-sulfenic acid (Cys-SOH) in post-translational modifications of protein systems. This research was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences (X.-B. W. and M. V.) and was performed at the EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory. Z. B. Q. acknowledges additional support from the National Natural Science Foundation of China (Grant No. 21873003 and 21503003) and the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase) (Grant No. U1501501) and Super Computation of Shenzhen.

Qin, Zhengbo↗
DOE OSTI2022

Understanding Proton Movement in [Fe-Fe] Hydrogenases

Nature uses specialized metalloenzymes to carry out small molecule activation reactions, including CO 2 fixation, O 2 activation, and proton reduction, with unparalleled efficiency, rates, and selectivity. The latter reactions are performed by hydrogenases, protein metallo-complexes that interconverts H 2 to protons and electrons (H 2 oxidation) and the reverse reaction (H 2 production) with incredibly low energy input and amazingly fast kinetics. Reproducing both the activity and efficiency of metalloenzymes in sustainable anthropogenic systems remains one of the “holy grails” of inorganic chemistry. However, identifying the precise molecular components responsible for these desirable properties has been challenging in the natural metalloenzymes, hindering efforts to develop analogous processes in synthetic compounds. Considering the inherent complexity of a metalloenzyme and the many interactions, both strong and weak, that contribute to the function of an enzyme, we have elected to model natural metalloenzymes on a biochemical platform. Towards this end, we have a developed structural, functional, and mechanistic mimic of the [Ni-Fe] hydrogenases within a robust protein scaffold, rubredoxin, to understand the influence of the secondary coordination environment on the metal center. This involved preparing a series of three rubredoxin constructs containing a single point mutation at Val positions and making the NMR chemical shift assignments for the paramagnetic (nickel-substituted) and non-paramagnetic (zinc-substituted) form. These physical studies were complemented with in silico molecular dynamic studies on proteins with [Fe-S] clusters to engineer new proton channels to test in vitro . To assist our search for new natural metalloprotein scaffolds within the vast number of sequenced genomes, we created a neural network-based program to identify proteins with specific metal-binding sites. These computational and physical studies with metalloenzymes provide direct insight into the fundamental chemical principles driving the natural systems and offer design principles for developing catalysts that utilize analogous principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Improving Uintah's Scalability Through the Use of Portable Kokkos-Based Data Parallel Tasks

The University of Utah’s Carbon Capture Multidisciplinary Simulation Center (CCMSC) is using the Uintah Computational Framework to predict performance of a 1000 MWe ultra-supercritical clean coal boiler. The center aims to utilize the Intel Xeon Phi-based DOE systems, Theta and Aurora, through the Aurora Early Science Program by using the Kokkos C++ library to enable node-level performance portability. This paper describes infrastructure advancements and portability improvements made possible by the integration of Kokkos within Uintah. This integration marks a step towards consolidating Uintah’s MPI+PThreads and MPI+CUDA hybrid parallelism approaches into a single MPI+Kokkos approach. Scalability results are presented that compare serial and data parallel task execution models for a challenging radiative heat transfer calculation, central to the center’s predictive boiler simulations. Here, these results demonstrate both good strong-scaling characteristics to 256 Knights Landing (KNL) processors on the NSF Stampede system, and show the KNL-based calculation to compete with prior GPU-based results for the same calculation.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1996

Excess chemical potential of small solutes across water--membrane and water--hexane interfaces

The excess chemical potentials of five small, structurally related solutes, CH4, CH3F, CH2F2, CHF3, and CF4, across the water-glycerol 1-monooleate bilayer and water-hexane interfaces were calculated at 300, 310, and 340 K using the particle insertion method. The excess chemical potentials of nonpolar molecules (CH4 and CF4) decrease monotonically or nearly monotonically from water to a nonpolar phase. In contrast, for molecules that possess permanent dipole moments (CH3F, CH2F, and CHF3), the excess chemical potentials exhibit an interfacial minimum that arises from superposition of two monotonically and oppositely changing contributions: electrostatic and nonelectrostatic. The nonelectrostatic term, dominated by the reversible work of creating a cavity that accommodates the solute, decreases, whereas the electrostatic term increases across the interface from water to the membrane interior. In water, the dependence of this term on the dipole moment is accurately described by second order perturbation theory. To achieve the same accuracy at the interface, third order terms must also be included. In the interfacial region, the molecular structure of the solvent influences both the excess chemical potential and solute orientations. The excess chemical potential across the interface increases with temperature, but this effect is rather small. Our analysis indicates that a broad range of small, moderately polar molecules should be surface active at the water-membrane and water-oil interfaces. The biological and medical significance of this result, especially in relation to the mechanism of anesthetic action, is discussed.

NASA Center ARC↗
NASA NTRS2015

Color Changing Hydrogen Sensors

During the Space Shuttle Program, one of the most hazardous operation that occurred was the loading of liquid hydrogen (LH2) during fueling operations of the spacecraft. Due to hydrogen's low explosive limit, any amount leaked could lead to catastrophic event. Hydrogen's chemical properties make it ideal as a rocket fuel; however, the fuel is deemed unsafe for most commercial use because of the inability to easily detect the gas leaking. The increased use of hydrogen over traditional fossil fuels would reduce greenhouse gases and America's dependency on foreign oil. Therefore a technology that would improve safety at NASA and in the commercial sector while creating a new economic sector would have a huge impact to NASA's mission. The Chemochromic Detector for sensing hydrogen gas leakage is a color-changing detector that is useful in any application where it is important to know not only the presence but also the location of the hydrogen gas leak. This technology utilizes a chemochromicpigment and polymer matrix that can be molded or spun into rigid or pliable shapes useable in variable temperature environments including atmospheres of inert gas, hydrogen gas, or mixtures of gases. A change in color of the detector material indicates where gaseous hydrogen leaks are occurring. The irreversible sensor has a dramatic color change from beige to dark grey and remains dark grey after exposure. A reversible pigment changes from white to blue in the presence of hydrogen and reverts back to white in the presence of oxygen. Both versions of the sensor's pigments were comprised of a mixture of a metal oxide substrate and a hydro-chromic compound (i.e., the compound that changed color in the presence of hydrogen) and immediately notified the operator of the presence of low levels of hydrogen. The detector can be used in a variety of formats including paint, tape, caulking, injection molded parts, textiles and fabrics, composites, and films. This technology brings numerous benefits over the traditional hydrogen sensors: The technology has excellent temperature stability (4K to 373 K), it can be used in cryogenic fluid applications, it is easy to apply and remove; it requires no power to operate; it has a quick response time; the leak points can be detected visually or electronically; it is nonhazardous, thus environmentally friendly; it can be reversible or irreversible; it does not require on-site monitoring; has a long shelf life; the detector is very durable; and the technology is inexpensive to manufacture.

Chemochromic sensor↗
NASA NTRSDate not supplied

MISR Level 1A CCD Science data, all cameras (MIL1A_V1)

The Level 1A data are raw MISR data that are decommutated, reformatted 12-bit Level 0 data shifted to byte boundaries, i.e., reversal of square-root encoding applied and converted to 16 bit, and annotated (e.g., with time information). These data are used by the Level 1B1 processing algorithm to generate calibrated radiances. The science data output preserves the spatial sampling rate of the Level 0 raw MISR CCD science data. CCD data are collected during routine science observations of the sunlit portion of the Earth. Each product represents one 'granule' of data. A 'granule' is defined to be the smallest unit of data required for MISR processing. Also, included in the Level 1A product are pointers to calibration coefficient files provided for Level 1B processing. [Location=GLOBAL] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180].

CCD↗
NASA NTRS1995

Four large-scale field-aligned current systmes in the dayside high-latitude region

A system of four current sheets of large-scale field-aligned currents (FACs) was discovered in the data set of simultaneous Viking and Defense Meteorological Satellire Program-F7 (DMSP-F7) crossing of the dayside high-latitude region. This paper reports four examples of this system that were observed in the prenoon sector. The flow polarities of FACs are upward, downward, upward, and downward, from equatorward to poleward. The lowest-latitude upward current is flowing mostly in the central plasma sheet (CPS) precipitation region, often overlapping with the boundary plasma sheet (BPS) at its poleward edge, andis interpreted as a region 2 current. The pair of downward and upward FACs in the middle of te structure are collocated with structured electron precipitation. The precipitation of high-energy (greater than 1 keV) electrons is more intense in the lower-latitude downward current sheet. The highest-latitude downward flowing current sheet is located in a weak, low-energy particle precipitation region, suggesting that this current is flowing on open field lines. Simulaneous observations in the postnoon local time sector reveal the standard three-sheet structure of FACs, sometimes described as region 2, region 1, and mantle (referred to the midday region O) currents. A high correlation was found between the occurrence of the four FAC sheet structure and negative interplanetary magnetic field (IMF) B(sub Y). We discuss the FAC structurein terms of three types of convection cells: the merging, viscous, andlobe cells. During strongly negative IMF B(sub Y), two convection reversals exist in the prenoon sector; one is inside the viscous cell, and the other is between the viscous cell and the lobe cell. This structure of convection flow is supported by the Viking electric field and auroral UV image data. Based on the convection pattern, the four FAC sheet structure is interpreted as the latitude overlap of midday and morning FAC systems. We suggest that the for-current sheet structure is common in a certain prenoon localtime sector during strongly negative IMF B(sub Y).

Ohtani, S.↗
DOE OSTI2016

Retrieval of High Level Waste for the Cigeo Project - A Practical Retrieval Test Story - 16085

Since the passing of the June 28, 2006 Act, Andra has incorporated in its step-wise design development of the French high level waste (HLW) and intermediate level long lived waste (IL-LLW) deep geological repository (DGR, aka Cigeo) various requirements linked to 'reversibility' at different stages of the repository life cycle (from its construction phase to its final closure). Reversibility is based on a number of practical dispositions including the progressivity of the development and deployment of the facility, the flexibility of the nature of operations being carried out, the adaptability of the facility to future modifications and the possible retrieval of waste. The capacity to retrieve waste from Cigeo, also called 'retrievability', bears specific requirements. On a shorter term, one must demonstrate that the waste container retrieval operations are technically safe and feasible over at least 100 years. The current paper starts with two acceptations: retrievability and reversibility. It details how those two notions are defined and inter-linked. The 'Retrievability Scale' as proposed by OECD/NEA (and adopted by Andra) is also reminded. The needs for demonstration of retrieval operations are also exposed for the two categories of waste containers disposed of in Cigeo (IL-LLW and HLW) within the context of their respective emplacement configurations (in disposal horizontal vaults and micro-tunnels) at different stages of the repository life cycle. The technical part of the paper is then focused on a practical case story: a technological test campaign (still running) of HLW container retrieval out of a steel cased disposal micro-tunnel. On a test bench built on surface to simulate (create) the environmental conditions that may prevail inside a HLW micro-tunnel at time of retrieval, it was possible to check whether the mechanical means developed for the purpose were adequate and sufficient. The test case story is exposed, c/w the problems and challenges encountered (high temperature impairing the retrieval robot's proper functioning, presence of corrosion products...). The trouble-shooting solutions implemented and the results are commented. This article concludes with a critical analysis of the methods and equipment used, the results obtained and provides some perspectives of improvement. The positive outcomes of this technical test campaign pave the way for planning the in situ retrieval tests to be programmed in the 'industrial pilot phase' of Cigeo (to be implemented over the ten first years of operations, including the active and inactive test period and the first years of disposal activities): the industrial pilot phase is presently scheduled around 2026-2036 (provided the Cigeo construction is authorized in 2021, following the licensing request filing scheduled in 2018). The issues of IL-LLW containers retrieval (for which specific solutions are also studied and technical demonstrations engaged or planned) are also briefly presented. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Efficient Discovery of Novel Multicomponent Mixtures for Hydrogen Storage: A Combined Computational/Experimental Approach

The objective of the proposed program is to discover novel mixed hydrides for hydrogen storage, which enable the DOE 2010 system-level goals. Our goal is to find a material that desorbs 8.5 wt.% H 2 or more at temperatures below 85°C. The research program will combine first-principles calculations of reaction thermodynamics and kinetics with material and catalyst synthesis, testing, and characterization. We will combine materials from distinct categories (e.g., chemical and complex hydrides) to form novel multicomponent reactions. Systems to be studied include mixtures of complex hydrides and chemical hydrides [e.g. LiNH 2+ NH 3 BH 3 ] and nitrogen-hydrogen based borohydrides [e.g. Al(BH 4 ) 3 (NH 3 ) 3 ]. The 2010 and 2015 FreedomCAR/DOE targets for hydrogen storage systems are very challenging, and cannot be met with existing materials. The vast majority of the work to date has delineated materials into various classes, e.g., complex and metal hydrides, chemical hydrides, and sorbents. However, very recent studies indicate that mixtures of storage materials, particularly mixtures between various classes, hold promise to achieve technological attributes that materials within an individual class cannot reach. Our project involves a systematic, rational approach to designing novel multicomponent mixtures of materials with fast hydrogenation/dehydrogenation kinetics and favorable thermodynamics using a combination of state-of-the-art scientific computing and experimentation. We will use the accurate predictive power of first-principles modeling to understand the thermodynamic and microscopic kinetic processes involved in hydrogen release and uptake and to design new material/catalyst systems with improved properties. Detailed characterization and atomic-scale catalysis experiments will elucidate the effect of dopants and nanoscale catalysts in achieving fast kinetics and reversibility. And, state-of-the-art storage experiments will give key storage attributes of the investigated reactions, validate computational predictions, and help guide and improve computational methods. In sum, our approach involves a powerful blend of: 1) H2 Storage measurements and characterization, 2) State-of-the-art computational modeling, 3) Detailed catalysis experiments, 4) In-depth automotive perspective.

08 HYDROGEN↗
NASA NTRS1999

Miniature Time-of-Flight Mass Spectrometer

Major advances must occur to protect astronauts from prolonged periods in near-zero gravity and high radiation associated with extended space travel. The dangers of living in space must be thoroughly understood and methods developed to reverse those effects that cannot be avoided. Six of the seven research teams established by the National Space Biomedical Research Institute (NSBRI) are studying biomedical factors for prolonged space travel to deliver effective countermeasures. To develop effective countermeasures, each of these teams require identification of and quantitation of complex pharmacological, hormonal, and growth factor compounds (biomarkers) in humans and in experimental animals to develop an in-depth knowledge of the physiological changes associated with space travel. At present, identification of each biomarker requires a separate protocol. Many of these procedures are complicated and the identification of each biomarker requires a separate protocol and associated laboratory equipment. To carry all of this equipment and chemicals on a spacecraft would require a complex clinical laboratory; and it would occupy much of the astronauts time. What is needed is a small, efficient, broadband medical diagnostic instrument to rapidly identify important biomarkers for human space exploration. The Miniature Time-Of- Flight Mass Spectrometer Project in the Technology Development Team is developing a small, high resolution, time-of-flight mass spectrometer (TOFMS) to quantitatively measure biomarkers for human space exploration. Virtues of the JHU/APL TOFMS technologies reside in the promise for a small (less than one cubic ft), lightweight (less than 5 kg), low-power (less than 50 watts), rugged device that can be used continuously with advanced signal processing diagnostics. To date, the JHU/APL program has demonstrated mass capability from under 100 to beyond 10,000 atomic mass units (amu) in a very small, low power prototype for biological analysis. Further, the electronic nature of the TOFMS output makes it ideal for rapid telemetry to earth for in-depth analysis by ground support teams.

Potember, Richard S.↗
DOE OSTI2015

Improving actinides recycling, a key step towards a more sustainable nuclear energy - 15617

Nuclear energy is thought to be one of the energy sources that could help mitigating the global climate change together with the renewables, due to its low green-house-gases emissions, its reliability and its high load power. However, nuclear energy will only develop if future nuclear energy systems meet the criteria of sustainability in terms of durability, bearability and liveability. Nowadays, many countries chose the so-called once-through cycle which basically considers spent nuclear fuel as a waste, whereas others reprocess their spent fuel to recover the energetically-valuable material Pu (and partially U) to produce Mixed Oxide Fuel (MOX) to be irradiated in a second cycle (twice-through cycle). Both options can be considered relevant, fitting diverse criteria; but if we consider a long lasting prospective for nuclear options, the once-through cycle sustainability is clearly lower (low consumption of natural resource, no recycling of potentially valuable energetic material, larger volume of waste...). Reversely, twice-through cycle can be seen as a first step towards an improved sustainability with a partial recycling of U/Pu and the reduction of the waste volume and toxicity. However, it is likely not sufficient for the long-term and implementing more efficient recycling is a key-driver to improve the environmental friendship, the economics and the social acceptability of nuclear energy. Future nuclear fuel cycles will have to better preserve the natural resource by improving the actinides recycling, to minimize the volume and toxicity of nuclear waste, to ensure their long-term confinement and to prevent any proliferation-risk. Such a gradual and progressive process calls for implementing appropriate technologies, either for reactors but also for fuel treatment/recycling facilities. This paper will describe the successive step that would allow improving the overall sustainability. Indeed, recycled Pu can be once recycled in MOX fuel feeding similar PWRs (Pressurized Water Reactor). Together with the recycling of reprocessed uranium, this first step already allows preserving ∼17% of the natural U resource and to confine ultimate wastes without Pu in a tailored durable wasteform. Subsequent Pu multi-recycling requires introducing Fast Reactors (FR) to efficiently use U-238 available in natural and depleted uranium stockpiles. In parallel, recycling processes would have to be adapted for treating spent LWR and SFR MOX spent fuels, which is currently under study thanks to an ambitious R and D program dedicated on MOX treatment and recycling. For the longer term, minor actinides recycling would allow decreasing the waste burden towards future generations: (i) Am-recycling leads to decrease the waste residual heat-power and increase the repository density and lifespan, (ii) Cm-recycling leads to decrease waste long-term toxicity. The stepwise implementation of these different processes defines a path towards sustainability for nuclear energy that are described in this paper from the fuel cycle viewpoint. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Microstructural development and mechanical properties of a near-eutectic directionally solidified Sn–Bi solder alloy

Sn–Bi solders may be applied for electronic applications where low-temperature soldering is required, i.e., sensitive components, step soldering and soldering LEDs. In spite of their potential to cover such applications, the mechanical response of soldered joints of Sn–Bi alloys in some cases does not meet the strength requirements due to inappropriate resulting microstructures. Hence, careful examination and control of as-soldered microstructures become necessary with a view to pre-programming reliable final properties. The present study aims to investigate the effects of solidification thermal parameters (growth rate — V{sub L} and cooling rate — T-dot{sub L}) on the microstructure of the Sn–52 wt.%Bi solder solidified under unsteady-state conditions. Samples were obtained by upward directional solidification (DS), followed by characterization through metallography and scanning electron microscopy (SEM). The microstructures are shown to be formed by Sn-rich dendrites decorated with Bi precipitates surrounded by a complex regular eutectic mixture, with alternated Bi-rich and Sn-rich phases. Experimental correlations of primary (λ{sub 1}), secondary (λ{sub 2}), tertiary (λ{sub 3}) dendritic and eutectic spacings (λ{sub coarse} and λ{sub fine}) with cooling rate and growth rate are established. Two ranges of lamellar eutectic sizes were determined, described by two experimental equations λ = 1.1 V{sub L}{sup −1/2} and λ = 0.67 V{sub L}{sup −1/2}. The onset of tertiary branches within the dendritic array along the Sn–52 wt.%Bi alloy DS casting is shown to occur for cooling rates lower than 1.5 °C/s. - Highlights: • The Sn–52 wt.%Bi solder was shown to have two eutectic sizes. • The fishbone eutectic is preferably located adjacent to the Bi-rich lamellar phases. • The onset of tertiary dendritic branches in Sn–Bi is associated with T-dot{sub L} < 1.5 °C/s. • Higher eutectic fraction and λ{sub 3} provoked a reverse increase in σ{sub u} and σ{sub y}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2011

Evaluation of Mars CO2 Capture and Gas Separation Technologies

Recent national policy statements have established that the ultimate destination of NASA's human exploration program is Mars. In Situ Resource Utilization (ISRU) is a key technology required to ,enable such missions and it is appropriate to review progress in this area and continue to advance the systems required to produce rocket propellant, oxygen, and other consumables on Mars using the carbon dioxide atmosphere and other potential resources. The Mars Atmospheric Capture and Gas separation project is selecting, developing, and demonstrating techniques to capture and purify Martian atmospheric gases for their utilization for the production of hydrocarbons, oxygen, and water in ISRU systems. Trace gases will be required to be separated from Martian atmospheric gases to provide pure CO2 to processing elements. In addition, other Martian gases, such as nitrogen and argon, occur in concentrations high enough to be useful as buffer gas and should be captured as well. To achieve these goals, highly efficient gas separation processes will be required. These gas separation techniques are also required across various areas within the ISRU project to support various consumable production processes. The development of innovative gas separation techniques will evaluate the current state-of-the-art for the gas separation required, with the objective to demonstrate and develop light-weight, low-power methods for gas separation. Gas separation requirements include, but are not limited to the selective separation of: (1) methane and water from unreacted carbon oxides (C02-CO) and hydrogen typical of a Sabatier-type process, (2) carbon oxides and water from unreacted hydrogen from a Reverse Water-Gas Shift process, (3)/carbon oxides from oxygen from a trash/waste processing reaction, and (4) helium from hydrogen or oxygen from a propellant scavenging process. Potential technologies for the separations include' freezers, selective membranes, selective solvents, polymeric sorbents, zeolites, and new technologies. This paper summarizes the results of an extensive literature review of candidate technologies for the capture and separation of CO2 and other relevant gases. This information will be used to prioritize the technologies to be developed further during this and other ISRU projects.

Muscatello, Anthony C.↗