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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effects of moisture and aging upon decomposition of methyl iodide by reduced silver mordenite

Abstract Reduced silver mordenite has been considered as a sorbent for the capture of organic iodides, especially methyl iodide, from off-gases produced by aqueous used nuclear fuel reprocessing operations. The adsorption capacity of this material has been unpredictable especially when NO x and water are present. Previous work has found that a catalytic decomposition reaction is occurring on the surface but few determinations have been made of the kinetics of this reaction. The work presented tested the adsorption behavior and apparent catalytic reaction rate in humid conditions and compared those to dry conditions testing. Both experiments observed a first order reaction with rate constants of 0.0847 L/g sorbent/s and 0.1202 L/g sorbent/s respectively. Such a reduction in apparent rate constant is possibly due to either water obstructing methyl iodide adsorption or product desorption limitation. Changes in the adsorption profile were also apparent between these two, with the humid conditions experiment reaching saturation sooner than the dry conditions experiment. Additionally, an experiment into the effects of sorbent storage in a controlled laboratory environment was performed. The performance of the sorbent materials that were stored with silver in the zerovalent state was slightly inferior to those materials that were stored in ionic form (Ag + ) and reduced to zerovalent silver immediately prior to subjecting them to sorption test. The materials stored with silver in the ionic form (and reduced just prior to application) behaved essentially similarly to the freshly synthesized (and reduced) sorbents in the sorption tests. This suggests that zerovalent silver experiences some oxidation resulting in deactivation of some sites.

Goettsche, Heinrik↗
DOE OSTI2023

Analysis of degradation products in thermally treated TATB

Delineating the chemical composition of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) residues produced from the exposure to abnormal thermal environments should lead to a better understanding of the decomposition paths. Identifying and quantifying each compound in thermally produced residues, monitors which compounds are degrading or forming along the decomposition route, as well as providing input for the kinetic models of those pathways. Here, in this paper, we report the methodology of isolating, identifying, and where possible, quantifying soluble compounds present in solid residues of thermally treated TATB (330 °C for tens of minutes). Samples were extracted with DMSO, separated using chromatography, and quantified using their absorption at 354 nm. Identification of unknown compounds was accomplished using high resolution mass spectrometry. TATB, F1 (diamino-dinitro-benzofurazan), HO-TATB (2,4,6-triamino-1-hydroxyl-3,5-dinitrobenzene), and T4A (1-chloro-3,5-dinitro-2,4,6-triaminobenzene) were trace compounds detected in the unreacted TATB. Ten more compounds that formed in the residues were structurally identified including F2 (amino-nitro-difurazan). Several more compounds were observed but not completely identified. We propose possible structures for the unknowns. Of the compounds formed, F1 was the most abundant compound reaching 4.5 % by weight of the degraded solid sample. Other degradation compounds were estimated to sum to trace levels, well below 1 %. Most compounds were new, having not been detected and identified in previous studies of production grade and thermally aged TATB. Many compounds only reached detectable concentrations after several min of thermal exposure.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Heat transfer device and method of making the same

Gas derived graphite fibers are generated by the decomposition of an organic gas. These fibers when joined with a suitable binder are used to make a high thermal conductivity composite material. The fibers may be intercalated. The intercalate can be halogen or halide salt, alkaline metal, or any other species which contributes to the electrical conductivity improvement of the graphite fiber. The heat transfer device may also be made of intercalated highly oriented pyrolytic graphite and machined, rather than made of fibers.

Banks, Bruce A.↗
DOE OSTI2022

Liquid and Glass Phases of an Alkylguanidinium Sulfonate Hydrogen-Bonded Organic Framework

Glassy phases of framework materials feature unique and tunable properties that are advantageous for gas separation membranes, solid electrolytes, and phase-change memory applications. However, the structural and chemical diversity of porous frameworks that can be liquified and quenched into a glass has been limited by thermal decomposition at-or below-the high temperatures required to induce a melting transition. Utilizing a desymmetrization strategy, in this work we report a new guanidinium organosulfonate hydrogen-bonded organic framework (HOF) that melts and vitrifies below 100 °C. In this low-temperature regime, non-covalent interactions between guest molecules and the porous framework become a dominant contributor to the overall stability of the structure, resulting in unusual phase behavior such as guest dependent melting, glass, and recrystallization transitions. Through molecular dynamics simulations and pair distribution function analysis, we show that the local structure of the amorphous liquid and glass phase resembles that of the parent crystalline framework. Access to molten phases of framework materials at moderate temperatures should permit the use of more thermally sensitive functional groups and enhance the structural control and tunability that can be realized in network-forming glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Calcium is associated with specific soil organic carbon decomposition products

Abstract. Calcium (Ca) may contribute to the preservation of soil organic carbon (SOC) in more ecosystems than previously thought. Here, we provide evidence that Ca is co-located with SOC compounds that are enriched in aromatic and phenolic groups, across different acidic soil types and locations with different ecosystem properties, differing in terms of climate, parent material, soil type, and vegetation. In turn, this co-localised fraction of Ca–SOC is removed through cation exchange, and the association is then only re-established during decomposition in the presence of Ca (Ca addition incubation). Thus, this highlights a causative link between decomposition and the co-location of Ca with a characteristic fraction of SOC. Decomposition increases the relative proportion of negatively charged functional groups, which can increase the propensity for the association between SOC and Ca; in turn, this association can inhibit dissolved organic carbon export or further decomposition. We propose that this mechanism could be driven by Ca hotspots at the microscale shifting local decomposition processes and thereby explaining the co-location of Ca with SOC of a specific composition across different acidic soil environments. Incorporating this biogeochemical process into Earth system models could improve our understanding, predictions, and management of carbon dynamics in soils, as well as accounting for their response to Ca-rich amendments.

Rowley, Mike C. (ORCID:0000000224407855)↗
NASA NTRS2004

Lunar and Planetary Science XXXV: Astrobiology

The presentations in this session are: 1. A Prototype Life Detection Chip 2. The Geology of Atlantis Basin, Mars, and Its Astrobiological Interest 3. Collecting Bacteria Together with Aerosols in the Martian Atmosphere by the FOELDIX Experimental Instrument Developed with a Nutrient Detector Pattern: Model Measurements of Effectivity 4. 2D and 3D X-ray Imaging of Microorganisms in Meteorites Using Complexity Analysis to Distinguish Field Images of Stromatoloids from Surrounding Rock Matrix in 3.45 Ga Strelley Pool Chert, Western Australia 4. Characterization of Two Isolates from Andean Lakes in Bolivia Short Time Scale Evolution of Microbiolites in Rapidly Receding Altiplanic Lakes: Learning How to Recognize Changing Signatures of Life 5. The Effect of Salts on Electrospray Ionization of Amino Acids in the Negative Mode 6. Determination of Aromatic Ring Number Using Multi-Channel Deep UV Native Fluorescence 7. Microbial D/H Fractionation in Extraterrestrial Materials: Application to Micrometeorites and Mars 8. Carbon Isotope Characteristics of Spring-fed Iron-precipitating Microbial Mats 9. Amino Acid Survival Under Ambient Martian Surface UV Lighting Extraction of Organic Molecules from Terrestrial Material: Quantitative Yields from Heat and Water Extractions 10. Laboratory Detection and Analysis of Organic Compounds in Rocks Using HPLC and XRD Methods 11. Thermal Decomposition of Siderite-Pyrite Assemblages: Implications for Sulfide Mineralogy in Martian Meteorite ALH84001 Carbonate Globules 12. Determination of the Three-Dimensional Morphology of ALH84001 and Biogenic MV-1 Magnetite: Comparison of Results from Electron Tomography and Classical Transmission Electron Microscopy 13. On the Possibility of a Crypto-Biotic Crust on Mars Based on Northern and Southern Ringed Polar Dune Spots 14. Comparative Planetology of the Terrestrial Inner Planets: Implications for Astrobiology 15. A Possible Europa Exobiology 16. A Possible Biogeochemical Model for Titan

Source record↗
NASA NTRS2013

Detection of Evolved Carbon Dioxide in the Rocknest Eolian Bedform by the Sample Analysis at Mars(SAM) Instrument at the Mars Curiosity Landing Site

The Sample Analysis at Mars (SAM) instrument detected four releases of carbon dioxide (CO2) that ranged from 100 to 700 C from the Rocknest eolian bedform material (Fig. 1). Candidate sources of CO2 include adsorbed CO2, carbonate(s), combusted organics that are either derived from terrestrial contamination and/or of martian origin, occluded or trapped CO2, and other sources that have yet to be determined. The Phoenix Lander s Thermal Evolved Gas Analyzer (TEGA) detected two CO2 releases (400-600, 700-840 C) [1,2]. The low temperature release was attributed to Fe- and/or Mg carbonates [1,2], per-chlorate interactions with carbonates [3], nanophase carbonates [4] and/or combusted organics [1]. The high temperature CO2 release was attributed to a calcium bearing carbonate [1,2]. No evidence of a high temperature CO2 release similar to the Phoenix material was detected in the Rocknest materials by SAM. The objectives of this work are to evaluate the temperature and total contribution of each Rocknest CO2 release and their possible sources. Four CO2 releases from the Rocknest material were detected by SAM. Potential sources of CO2 are adsorbed CO2, (peak 1) and Fe/Mg carbonates (peak 4). Only a fraction of peaks 2 and 3 (0.01 C wt.%) may be partially attributed to combustion of organic contamination. Meteoritic organics mixed in the Rocknest bedform could be present, but the peak 2 and 3 C concentration (approx.0.21 C wt. %) is likely too high to be attributed solely to meteoritic organic C. Other inorganic sources of C such as interactions of perchlorates and carbonates and sources yet to be identified will be evaluated to account for CO2 released from the thermal decomposition of Rocknest material.

Sutter, B.↗
DOE OSTI2021

A Hotspot’s Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics

Shockwave interactions with a material’s microstructure localizes energy into hotspots, which act as nucleation sites for complex processes such as phase transformations and chemical reactions. To date, hotspots have been described via their temperature fields. Nonreactive, all-atom molecular dynamics simulations of shock-induced pore collapse in a molecular crystal show that more energy is localized as potential energy (PE) than can be inferred from the temperature field and that PE localization persists beyond thermal diffusion. Furthermore, the origin of the PE hotspot is traced to large intramolecular strains, storing energy in modes readily available for chemical decomposition.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Organic contamination analysis: High resolution mass spectrometric analysis of surface organics on selected areas of Surveyor 3

The mirror and middle shroud were extracted for organics by washing the surfaces with solvents. The techniques are discussed. Ion microprobe analyses of the primarily atomic species are presented. The sources of the organic contaminants are: (1) hydrocarbons from lubricating oils and general terrestrial contamination, (2) dioctyl phthalate, probably from polyethylene bagging material (the plasticizer), (3) carboxylic acids from decomposition of grease and general terrestrial contamination, (4) silicones from sources such as lubricating oil, (5) outgassing of electronics and plasticizer, (6) vinyl alcohol and styrene copolymer, probably from electronic insulation, and (7) nitrogenous compounds from the lunar module and possibly Surveyor 3 engine exhaust.

Simoneit, B. R.↗
NASA NTRS2009

Thermal and Evolved Gas Behavior of Calcite Under Mars Phoenix TEGA Operating Conditions

The Mars Phoenix Scout Mission with its diverse instrument suite successfully examined several soils on the Northern plains of Mars. The Thermal and Evolved Gas Analyzer (TEGA) was employed to detect organic and inorganic materials by coupling a differential scanning calorimeter (DSC) with a magnetic-sector mass spectrometer (MS). Martian soil was heated up to 1000 C in the DSC ovens and evolved gases from mineral decomposition products were examined with the MS. TEGA s DSC has the capability to detect endothermic and exothermic reactions during heating that are characteristic of minerals present in the Martian soil. Initial TEGA results indicated the presence of endothermic peaks with onset temperatures that ranged from 675 C to 750 C with corresponding CO2 release. This result suggests the presence of calcite (CaCO3. CaO + CO2). Organic combustion to CO2 is not likely since this mostly occurs at temperatures below 550 C. Fe-carbonate and Mg-carbonate are not likely because their decomposition temperatures are less than 600 C. TEGA enthalpy determinations suggest that calcite, may occur in the Martian soil in concentrations of approx.1 to 5 wt. %. The detection of calcite could be questioned based on previous results that suggest Mars soils are mostly acidic. However, the Phoenix landing site soil pH was measured at pH 8.3 0.5, which is typical of terrestrial soils where pH is controlled by calcite solubility. The range of onset temperatures and calcite concentration as calculated by TEGA is poorly con-strained in part because of limited thermal data of cal-cite at reduced pressures. TEGA operates at <30 mbar while most calcite literature thermal data was obtained at 1000 mbar or higher pressures.

Ming, D.W.↗
DOE OSTI2025

Calcium is associated with specific soil organic carbon decomposition products at Blodgett Forest Research Center, Georgetown, California as analysed with scanning transmission X-ray microscopy carbon near-edge X-ray absorption fine structure spectroscopy

This data is from the paper calcium is associated with specific soil organic carbon decomposition products, published in SOIL. DOI: https://doi.org/10.5194/soil-11-381-2025, 2025.This file contains CSVs with spectral data and bulk soil data and there is no specific program required to open this data. The data includes Scanning transmission X-ray microscopy carbon near-edge X-ray absorption fine structure spectroscopy. data from the measurement of samples from the Whole-soil Warming project, run by the Belowground Biogeochemistry team at Blodgett Forest Research Center, Georgetown, California run by the University of California, Berkeley. It also includes bulk soil chemical properties. The University of California's Blodgett Forest Research Station (Forest) is situated in the Sierra Nevada foothills (1370 m a.s.l.) near Georgetown, California. The samples were collected from here: 38.912013, -120.661469, https://maps.app.goo.gl/291bCJ1zVqUhgktz6. The Forest soils were characterised as Alfisols, which are equivalent to Dystric Cambisols (IUSS Working Group WRB, 2015), and formed in granitic parent materials, in a temperate climate, under thinned, mixed-coniferous forest (Fig. S3; Gaudinski et al., 2009). With these analyses we aimed to answer the question, is calcium associated with a specific type of organic matter enriched in aromatic and phenolic carbon at the microscale in samples from Blodgett Forest Research Center? and how does this specific type of carbon respond to experiments targetted at removing and adding calcium to the soils, specifically cation exchange and incubation after calcium addition? Abstract from the paper can be found below: Calcium (Ca) may contribute to the preservation of soil organic carbon (SOC) in more ecosystems than previously thought. Here we provide evidence that Ca is co-located with SOC compounds that are enriched in aromatic and phenolic groups, across different acidic soil-types and locations with different ecosystem properties, differing in terms of climate, parent material, soil type, and vegetation. In turn, this co-localised fraction of Ca-SOC is removed through cation-exchange, and the association is then only re-established during decomposition in the presence of Ca (Ca addition incubation). Thus, highlighting a causative link between decomposition and the co-location of Ca with a characteristic fraction of SOC. Decomposition increases the relative proportion of negatively charged functional groups, which can increase the propensity for the association between SOC and Ca, and in turn, this association inhibits dissolved organic carbon export or further decomposition. We propose that this mechanism could be driven by Ca hotspots on the microscale shifting local decomposition processes and thereby explaining the colocation of Ca with SOC of a specific composition across different acidic soil environments. Incorporating this biogeochemical process into Earth System Models could improve our understanding, predictions, and management of carbon dynamics in soils, and account for their response to Ca-rich amendments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Synthetic diversity in the preparation of metallic uranium

Uranium metal is associated with several aspects of nuclear technology; it is used as fuel for research and power reactors, targets for medical isotope productions, explosive for nuclear weapons and precursors in synthetic chemistry. The study of uranium metal at the laboratory scale presents the opportunity to evaluate metallic nuclear fuels, develop new methods for metallic spent fuel reprocessing and advance the science relevant to nuclear forensics and medical isotope production. Since its first isolation in 1841, from the reaction of uranium chloride and potassium metal, uranium metal has been prepared by solid-state reactions and in solution by electrochemical, chemical and radiochemical methods. The present review summarizes the methods outlined above and describes the chemistry associated with each preparation.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Lunar outpost agriculture

The development of a CELSS for a lunar outpost is discussed. It is estimated that a lunar outpost life support system with a crew of four that produces food would break even in terms of mass and cost to deliver the system to the lunar surface after 2.5 years when compared to the cost of resupply from earth. A brief review is made of research on life support systems and NASA projects for evaluating CELSS components. The use of on-site materials for propellants, construction materials, and agriculture is evaluated, and the use of microbes for waste decomposition and stabilization of ecological balance is touched upon. Areas for further investigation include the behavior of organisms in microgravity, genetic alteration, gas exchange capabilities of organisms, integration of biological and physicochemical components, and automation. The development stages leading to lunar deployment are outlined.

Hossner, Lloyd R.↗
DOE OSTI2023

Thermodynamic controls on the synthesis, structure and reactivity of materials for energy (Final Report)

The major objectives of this renewal proposal, now entitled “Thermodynamic Controls on the Synthesis, Structure and Reactivity of Materials for Energy,” are: (a) to advance and use unique calorimetric capabilities to determine the energetics of materials relevant to energy applications, with an emphasis on new materials, (b) to understand, in terms of both macroscopic energetics and microscopic structure and bonding, the interplay of defect chemistry, oxidation-reduction and size effects at the nanoscale in determining the properties of functional oxide materials and of new classes of non-oxide materials. Recent developments have generated great excitement in organic-inorganic hybrid materials such as the alkylammonium lead halide perovskites. Our current work has emphasized fluorite-based solid electrolytes, perovskites and lithium battery materials. The systematic trends seen enable a more holistic view of the relation of thermodynamics to materials discovery and synthesis. The proposed work more explicitly targets thermodynamic controls on metastability, energy landscapes, surface and nanoscale effects, and pathways of synthesis and decomposition. This project is leveraged by many U.S. and international collaborations that both extend the science and provide opportunities for work in a diverse global setting.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Wildfire‐Induced Losses of Soil Particulate and Mineral‐Associated Organic Carbon Persist for Over 4 Years in a Chaparral Ecosystem

ABSTRACT Wildfires can lower soil carbon (C) stocks directly through combustion, but also indirectly during post‐fire recovery if microbial C demands outpace photosynthetic C inputs. However, how much C is respired by soil microorganisms post‐fire may depend on wildfire effects on particulate organic carbon (POC; mostly plant material accessible to microbes) and/or mineral‐associated organic carbon (MAOC; considered C protected by minerals from decomposers), meaning assessment of wildfire impacts on these pools is necessary to predict microbial decomposition rates and, thus, the fate of soil C. Here, we measured POC, MAOC, pyrogenic organic matter C, plant cover, extracellular enzyme activity (EEA), and microbial community abundance and composition 17 days, and 1, 3, and 4 years after the Holy Fire burned 94 km 2 of fire‐adapted chaparral. The wildfire immediately decreased POC by 50% (from 51 ± 21 to 26 ± 6 g C kg −1 ) and MAOC by 33% (from 9.3 ± 0.9 to 6.3 ± 0.9 g C kg −1 ), consistent with MAOC being less vulnerable to loss than POC. POC decreased by another 38% 1 year post‐fire, consistent with increases in microbial abundance and EEA suggesting increased microbial decomposition. Between 1 and 4 years after the fire, cover of the dominant shrub (Arctostaphylos glandulosa) increased from 3.9% ± 1.6% to 16% ± 5.4% (compared to 58% ± 4.6% in unburned plots), marking the end of net soil C losses. Still, soil C did not increase between 1 and 4 years post‐fire, suggesting plant C inputs did not outpace microbial respiration, a finding consistent with isotopically heavier C from microorganisms raising bulk soil δ 13 C values. As global changes favor increases in wildfire frequency and severity, C losses via combustion and decomposition may outpace plant C inputs during the first 4 years post‐fire in chaparral, slowing the replenishment of soil C stocks.

Biodiversity & Conservation↗
DOE OSTI2020

Effect of initial γ -irradiation on infrared laser ablation of poly(vinyl alcohol) studied by infrared spectroscopy

We report the effect of initial γ-irradiation of poly(vinyl alcohol) (PVA) on the kinetics of polymer ablation under CO 2 laser irradiation was studied using infra-red spectroscopy. The rate of laser ablation rapidly decreases with increasing time of laser ablation up to 10 s. Initial γ-irradiation of a dose up to 100 kGy reduces the rate of the laser ablation, just like the effect of laser exposure. The number of OH and CH groups decrease in PVA both with laser irradiation and with γ-irradiation. The number of OH groups decreases more under laser irradiation. Unsaturated bonds are formed in γ–irradiated PVA on the surface of the crater formed by laser ablation of the polymer that has undergone radiolysis. Increasing the dose of initial γ-irradiation from 100 to 2300 kGy leads to an increase in the intensity of the IR bands of the unsaturated bonds. The number of IR bands in the spectra of the laser ablation crater of PVA does not change with the dose of initial γ-irradiation. A dose of radiolysis of 3500 kGy significantly changes the IR spectra of both the ablation crater and the coating formed from the ablation products. Many bands characteristic for PVA are no longer present and the intensities of bands corresponding to unsaturated bonds are increased. A computational model for loss of water and ketone formation was developed for PVA and PVA including a diol using G3(MP2). The highest activation energy barrier step in the decomposition reaction was formation of the enol species and water was shown to catalyze all decomposition steps.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Production of desensitized, ultrafine PETN powder

Pentaerythritol tetranitrate (PETN) is a widely studied high explosive (HE), most commonly used in detonator applications. In this work, we use a spray drying technique to manufacture a new “nano-powder” morphology of PETN. The spray dried PETN is several orders of magnitude smaller in particle size than traditionally prepared PETN powders. The spray dried PETN has a mostly spherical and smooth morphology, while traditional crystalline PETN typically has sharp edges and crystal facets. Small-scale sensitivity tests including drop-weight impact, friction, and electrostatic discharge (ESD) indicate the spray dried PETN is less sensitive than traditionally used forms of PETN powders. Furthermore, we also observed no changes in chemical properties (melt temperature and onset of decomposition) after spray drying, and the material remains in the tetragonal, crystalline phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Toward Higher Voltage Solid-State Batteries by Metastability and Kinetic Stability Design

The energy density of battery systems is limited largely by the electrochemical window of the electrolyte. Here, the combined thermodynamic and kinetic effects of mechanically induced metastability are shown to greatly widen the operational voltage window of solid-state batteries based on ceramic-sulfide electrolytes. Solid electrolyte voltage stability up to 10 V is achieved with minimal degradation, far beyond the capability of organic liquid electrolytes. Furthermore, combined experiment, ab initio computation, and theoretical modeling identify the nature of mechanically constrained Li 10 GeP 2 S 12 decomposition both within the bulk and at interfaces with cathode materials at very high voltages. Previously unclear kinetic processes are identified that, when properly implemented, can potentially allow solid-state full cells with remarkably high operational voltages.

25 ENERGY STORAGE↗