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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Emergent Behavior at the Calcite–Water Interface during Reactive Transport in a Simple Microfluidic Channel

Geochemical reactive transport processes in natural mineral-fluid systems may produce a wide array of emergent phenomena that are difficult to predict from basic principles and to reproduce in model systems. In this study, we present experimental results obtained from a simple microfluidic system with which we explored the consequences of reacting the calcite (104) cleavage surface with an acidic Pb-bearing solution (pH = 3.5, [Pb] total = 5 mM) as a function of flow rate. This system is relevant to passive remediation systems for Pb-rich acid mine drainage. We observed periodic banding in the amounts of Pb sorption at flow velocities ≥ 926 μm s -1 , where the band spacing was spatially correlated with the amount of calcite dissolution and the development of micropyramidal topography on the calcite (104) surface. The equivalent coverage of Pb deposited in these Pb-rich bands was at least several monolayers per unit cell, yet there was no evidence for precipitation of any secondary Pb phase implying incorporation of Pb within the near-surface calcite lattice. We also observed spatial variations in nucleation and growth of euhedral secondary Pb-carbonate minerals hydrocerusite and cerussite at flow rates ≤ 278 μm s -1 ,. These findings demonstrate potential for exploiting the rich phenomenology afforded by the interplay among transport phenomena and chemical kinetics in experimental systems designed to yield deeper insights into geochemical self-organization.

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

A History of Molecular Level Analysis of Natural Organic Matter by FTICR Mass Spectrometry and The Paradigm Shift in Organic Geochemistry

Natural organic matter (NOM) is a complex mixture of biogenic molecules resulting from the deposition and transformation of plant and animal matter. It has long been recognized that NOM plays an important role in many geological, geochemical, and environmental processes. Of particular concern is the fate of NOM in response to a warming climate in environments that have historically sequestered carbon (e.g., peatlands and swamps) but may transition to net carbon emitters. In this review, we will highlight developments in the application of high-field Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) in identifying the individual components of complex NOM mixtures, focusing primarily on the fraction that is dissolved in natural waters (dissolved organic matter or DOM). We will first provide some historical perspective on developments in FTICR technology that made molecular-level characterizations of DOM possible. In conclusion, a variety of applications of the technique will then be described, followed by our view of the future of high-field FTICR MS in carbon cycling research, including a particularly exciting metabolomic approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Trace elements and their isotopes in streams and rivers

The occurrence and speciation of trace elements in streams and rivers are controlled by interconnected hydrogeological, biogeochemical, and anthropogenic factors that include rock weathering, climate, vegetation, and land use within the watershed. This chapter provides a broad overview of trace element abundance, speciation, and mobility in streams and rivers, including an assessment of how trace elements are partitioned into dissolved, colloidal, and particulate phases. We also discuss how trace elements are mobilized into stream networks and transformed during transport. Select isotopic systems are reviewed to provide examples of how isotopic analyses can be used to understand geochemical and anthropogenic processes.

Herndon, Elizabeth [ORNL] (ORCID:0000000291945493)↗
DOE OSTI2026

Integrated geological, economic, and risk assessment of underground hydrogen storage

Underground hydrogen storage (UHS) is a promising option to buffer variable renewable power and support the hydrogen economy. Yet this technology is early-stage, and key uncertainties remain about how coupled processes such as geochemical and geomechanical impacts affect long-term storage security. In this paper, we seek to integrate the results from a large, multi-scale research program to quantify core feasibility metrics and situate these studies within ongoing efforts. Through this work, we evaluate hydrogen recoverability during storage by assessing diffusive losses, losses to geochemical interactions and their subsequent impact on geomechanical properties, and losses to residual saturation during injection and withdrawal. Molecular and laboratory studies show that lithologic heterogeneity, pore geometry, and mineral surface chemistry govern hydrogen–rock interactions, controlling loss pathways. High-pressure coreflooding is used to estimate relative permeabilities and measure parameters needed for reservoir-scale sensitivity analyses. These core-scale experiments found early hydrogen breakthrough at low saturations driven by capillary and viscous fingering, which limits pore-space utilization at early times, while repeated injection and withdrawal cycles improve deliverability over time. Technoeconomic factors and purity requirements for end uses are also considered as part of our comprehensive feasibility analysis. Finally, we underscore the importance of geophysical monitoring and tailored injection strategies to maintain integrity and efficiency. Together, these results provide a quantitative foundation for safe, scalable deployment of UHS and highlight priorities for future integrated studies.

08 HYDROGEN↗
DOE OSTI2024

Role of Dynamic Polarization Interactions in the Electrical Double Layer at Calcite (104) Interfaces with Aqueous Solutions

Reactions at mineral interfaces with aqueous solutions control many geochemical and biogeochemical processes in the Earth’s critical zone. At the molecular level, insights into important properties such as the structure of the electrical double layer (EDL) at specific mineral interfaces continue to improve due to the increasing fidelity of laboratory instrumentation and computational approaches. However, molecular simulation approaches suffer from limited reach into relevant scales of time, length, and system complexity. To span this gap, a novel hybrid approach that couples first principle plane-wave density functional theory (DFT) with classical DFT (cDFT) is demonstrated and applied to calcite (104) interfaces with various electrolytes. In this approach, a region of interest described using DFT interacts with the surrounding medium described using cDFT to arrive at a self-consistent ground state. Benchmarking against experimental observations and entirely first principle DFT simulations demonstrates that this hybrid model efficiently encompasses the key short-range and collective interactions in the EDL. Simulations of calcite (104)/solution interfaces reveal the key static and dynamic polarization interactions that give rise to structuring of ions and water. Ion hydration interactions have the strongest effect on the depth of the first minimum in the density distribution of counterions at the surface, and the position and width of the first density peak is largely determined by the strength of ion-correlation forces. Finer details of ion distributions are controlled by mutual polarization of the calcite surface and interfacial electrolyte. Finally, this new ability to efficiently and rigorously predict EDL structure at mineral surfaces in contact with complex solutions paves the way to accurately modeling sorption, nucleation, dissolution, and growth in realistic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Probing the state of hydrogen in δ − AlOOH at mantle conditions with machine learning potential

Hydrous and nominally anhydrous minerals are a fundamental class of solids of enormous significance to geophysics. They are the water carriers in the deep geological water cycle and impact structural, elastic, plastic, and thermodynamic properties and phase relations in Earth's forming aggregates (rocks). They play a critical role in the geochemical and geophysical processes that shape the planet. Their complexity has prevented predictive calculations of their properties, but progress in materials simulations ushered by machine-learning potentials is transforming this state of affairs. Here, we adopt a hybrid approach that combines deep learning potentials (DPs) with the strongly constrained and appropriately normed meta-generalized gradient approximation functional to simulate a prototypical hydrous system. We illustrate the success of this approach to simulate δ − AlOOH ( δ ) , a phase capable of transporting water down to near the core-mantle boundary of the Earth ( ∼ 2900 km depth and ∼ 135 GPa ) in subducting slabs. A high-throughput sampling of phase space using molecular dynamics simulations with DPs sheds light on the hydrogen-bond behavior and proton diffusion at geophysical conditions. These simulations provide a pathway for a deeper understanding of these crucial components that shape Earth's internal state. Published by the American Physical Society 2024

Luo, Chenxing (ORCID:0000000341166851)↗
DOE OSTI2022

Discovering hydrothermalism from Afar: In Situ methane instrumentation and change-point detection for decision-making

Seafloor hydrothermalism plays a critical role in fundamental interactions between geochemical and biological processes in the deep ocean. A significant number of hydrothermal vents are hypothesized to exist, but many of these remain undiscovered due in part to the difficulty of detecting hydrothermalism using standard sensors on rosettes towed in the water column or robotic platforms performing surveys. Here, we use in situ methane sensors to complement standard sensing technology for hydrothermalism discovery and compare sensors on a towed rosette and an autonomous underwater vehicle (AUV) during a 17 km long transect in the Northern Guaymas Basin in the Gulf of California. This transect spatially intersected with a known hydrothermally active venting site. These data show that methane signalled possible hydrothermal-activity 1.5–3 km laterally (100–150 m vertically) from a known vent. Methane as a signal for hydrothermalism performed similarly to standard turbidity sensors (plume detection 2.2–3.3 km from reference source), and more sensitively and clearly than temperature, salinity, and oxygen instruments which readily respond to physical mixing in background seawater. We additionally introduce change-point detection algorithms—streaming cross-correlation and regime identification—as a means of real-time hydrothermalism discovery and discuss related data supervision technologies that could be used in planning, executing, and monitoring explorative surveys for hydrothermalism.

58 GEOSCIENCES↗
NASA NTRS1986

Support for global science - Remote sensing's challenge

Advances in remote sensing techniques are discussed. The benefits possible to remote sensing with the new Earth Observing System, which is composed of the Space Station and coorbiting and polar satellite platforms, are examined. Current changes in the remote sensing field, which involve a change from an industrial society to an informational society, force technology to high technology with high touch, short term to long term, centralized to decentralized, hierarchies to networks, and either/or to multiple option systems are studied. The explanatory and objective types of analyses for investigating biophysical, geochemical, and socioeconomic processes are described; the procedures include: morphometric, cause and effect, temporal and functional and ecological system analyses, inventory, mapping, monitoring, and modeling.

Estes, J. E.↗
NASA NTRS1992

The (146,147)Sm-(142,143)Nd systematics of early terrestrial differentiation and the lost continents of the early Earth

The very early history of the Earth has been one of the great enduring puzzles in the history of geology. We report evidence which clearly can be described as a vestige of a beginning, because the evidence that we report cannot be interpreted in any other way except as a geochemical signal of processes active in the very early history of the Earth. The evidence itself is a very small anomaly in the abundance of SM-146. The primary aims of this study were to: (1) verify the existence of the 'lost continents' of the Hadean era; and (2) determine their mean age.

Harper, Charles L., Jr.↗
NASA NTRS1998

Experimental Study of Lunar and SNC Magmas

The research described in this progress report involved the study of petrological, geochemical and volcanic processes that occur on the Moon and the SNC parent body, generally accepted to be Mars. The link between these studies is that they focus on two terrestrial-type parent bodies somewhat smaller than earth, and the fact that they focus on the role of volatiles in magmatic processes and on processes of magma evolution on these planets. The work on the lunar volcanic glasses has resulted in some exciting new discoveries over the years of this grant. We discovered small metal blebs initially in the Al5 green glass, and determined the significant importance of this metal in fixing the oxidation state of the parent magma (Fogel and Rutherford, 1995). More recently, we discovered a variety of metal blebs in the Al7 orange glass. Some of these Fe-Ni metal blebs were in the glass; others were in olivine phenocrysts. The importance of these metal spheres is that they fix the oxidation state of the parent magma during the eruption, and also indicate changes during the eruption (Weitz et al., 1997) They also yield important information about the composition of the gas phase present, the gas which drove the lunar fire-fountaining. One of the more exciting and controversial findings in our research over the past year has been the possible fractionation of H from D during shock (experimental) of hornblende bearing samples (Minitti et al., 1997). This research is directed at explaining some of the low H2O and high D/H observed in hydrous phases in the SNC meteorites.

Rutherford, Malcolm J.↗
NASA NTRS2000

Experimental Study of Lunar and SNC Magmas

The research described in this progress report involved the study of petrological, geochemical and volcanic processes that occur on the Moon and the SNC parent body, generally accepted to be Mars. The link between these studies is that they focus on two terrestrial-type parent bodies somewhat smaller than earth, and the fact that they focus on the role of volatiles in magmatic processes and on processes of magma evolution on these planets. The work on the lunar volcanic glasses has resulted in some exciting new discoveries over the years of this grant. During the tenure of the present grant, we discovered a variety of metal blebs in the A17 orange glass. Some of these Fe-Ni metal blebs occur in the glass; others were found in olivine phenocrysts which we find make up about 2 vol % of the orange glass magma. The importance of these metal spheres is that they fix the oxidation state of the parent magma during the eruption, and also indicate changes during the eruption. They also yield important information about the composition of the gas phase present, the gas which drove the lunar fire-fountaining. In an Undergraduate senior thesis project, Nora Klein discovered a melt inclusion that remained in a glassy state in one of the olivine phenocrysts. Analyses of this inclusion gave additional information on the CO2, CO and S contents of the orange glass magma prior to its reaching the lunar surface. The composition of lunar volcanic gases has long been one of the puzzles of lunar magmatic processes. One of the more exciting findings in our research over the past year has been the study of magmatic processes linking the SNC meteorite source magma composition with the andesitic composition rocks found at the Pathfinder site. In this project, graduate student Michelle Minitti showed that there was a clear petrologic link between these two magma types via fractional removal of crystals from the SNC parent melt, but the process only worked if there was at least 1 wt % dissolved water in the melt.

Rutherford, Malcolm J.↗
NASA NTRS2003

A Secondary Ion Mass Analyzer for Remote Surface Composition Analysis of the Galilean Moons

Galileo in-situ dust measurements have shown that the Galilean moons are surrounded by tenuous dust clouds formed by collisional ejecta from their icy surfaces, kicked up by impacts of interplanetary micrometeoroids. The majority of the ejecta dust particles have been sensed at altitudes below five between 0.5 and 1 micron, just above the detector threshold, indicating a size distribution decreasing towards bigger particles. their parent bodies. They carry information about the properties of the surface from which they have been kicked up. In particular, these grains may carry organic compounds and other chemicals of biological relevance if they exist on the icy Galilean moons. In-situ analysis of the grain composition with a sophisticated dust analyzer instrument flying on a Jupiter Icy Moons Orbiter can provide important information about geochemical and geophysical processes during the evolutionary histories of these moons which are not accessible with other techniques from an orbiter spacecraft. Thus, spacecraft-based in-situ dust measurements can be used as a diagnostic tool for the analysis of the surface composition of the moons. This way, the in-situ measurements turn into a remote sensing technique by using the dust instrument like a telescope for surface investigation. An instrument capable of very high resolution composition analysis of dust particles is the Cometary Secondary Ion Mass Analyzer (COSIMA). The instrument was originally developed for the Comet Rendezvous and Asteroid Flyby (CRAF) mission and has now been built for ESA'S comet orbiter Rosetta. Dust particles are collected on a target and are later located by an optical microscope camera. A pulsed primary indium ion gun partially ionizes the dust grains. The generated secondary ions are accelerated in an electric field and travel through a reflectron-type time-of-flight ion mass spectrometer.

Krueger, H.↗
NASA NTRS2002

Data from TRMM Field Experiments at the Goddard Earth Sciences (GES) DISC DAAC Tropical Rainfall Measuring Mission Field Experiments (TRMM FEs)

The basic objectives of TRMM Field Experiments (FEs) are to evaluate the physical assumptions made by TRMM. rainfall algorithms, initialize and validate the cloud resolving models, test latent heating retrievals from TRMM mea- surements, and evaluate methods to estimate rainfall and latent heating from ground-based radars. The field experiments were designed as a group, so that specific measure ments could be compared between experiments in order to gain insight into the regional dependence of any findings. The TExas FLorida UNderflight Experiments (TEFLUN) were designed to provide validation measurements for TRMM and for the enhancement of TRMM precipitation algorithms. TEFLUN-A focused on east Texas. TEFLUN-B was conducted in close coordination with the Third Convection And Moisture Experiment (CAMEX-3) in Florida. The TRMM-LBA was conducted in coordination with the Large Scale Biosphere-Atmosphere Experiment in Amazonia (LBA). The LBA objectives are to further our understanding of the climatological, ecological, bie geochemical, and hydrological processes in Amazonia and the impact of land use/land change on these processes. Specifically, TRMM-LBA addressed issues related to land precipitation algorithms. The Kwa jalein Experiment (KWAJEX), conducted on the Kwajalein Island in the Republic of Marshall Islands (RMI), was designed to address issues of TRMM products over the ocean. The purpose of the South China Sea Monsoon Experiment (SCSMEX) was to study the water and energy cycle of the Asian monsoon in order to provide better understanding and improve prediction. and instruments of the TRMM FEs. The platforms and instruments of the TRMM FEs are given.

Source record↗
NASA NTRS1997

High-temperature life without photosynthesis as a model for Mars

Discoveries in biology and developments in geochemistry over the past two decades have lead to a radical revision of concepts relating to the upper temperature at which life thrives, the genetic relationships among all life on Earth, links between organic and inorganic compounds in geologic processes, and the geochemical supply of metabolic energy. It is now apparent that given a source of geochemical energy, in the form of a mixture of compounds that is far from thermodynamic equilibrium, microorganisms can take advantage of the energy and thrive without the need for photosynthesis as a means of primary productivity. This means that life can exist in the subsurface of a planet such as Mars without necessarily exhibiting a surface expression. Theoretical calculations quantify the geochemically provided metabolic energy available to hyperthermophilic organisms in submarine hydrothermal systems on the Earth, and help to explain the enormous biological productivity of these systems. Efforts to place these models in the context of the early Earth reveal that substantial geochemical energy would have been available and that organic synthesis would have been thermodynamically favored as hydrothermal fluids mix with seawater.

Non-NASA Center↗
NASA NTRS2004

Experimental Study of Lunar and SNC Magmas

The research described in this progress report involved the study of petrological, geochemical, and volcanic processes that occur on the Moon and the SNC meteorite parent body, generally accepted to be Mars. The link between these studies is that they focus on two terrestrial-type parent bodies somewhat smaller than earth, and the fact that they focus on the types of magmas (magma compositions) present, the role of volatiles in magmatic processes, and on processes of magma evolution on these planets. We are also interested in how these processes and magma types varied over time.In earlier work on the A15 green and A17 orange lunar glasses, we discovered a variety of metal blebs. Some of these Fe-Ni metal blebs occur in the glass; others (in A17) were found in olivine phenocrysts that we find make up about 2 vol 96 of the orange glass magma. The importance of these metal spheres is that they fix the oxidation state of the parent magma during the eruption, and also indicate changes during the eruption . They also yield important information about the composition of the gas phase present, the gas that drove the lunar fire-fountaining. During the tenure of this grant, we have continued to work on the remaining questions regarding the origin and evolution of the gas phase in lunar basaltic magmas, what they indicate about the lunar interior, and how the gas affects volcanic eruptions. Work on Martian magmas petrogenesis questions during the tenure of this grant has resulted in advances in our methods of evaluating magmatic oxidation state variations in Mars and some new insights into the compositional variations that existed in the SNC magmas over time . Additionally, Minitti has continued to work on the problem of possible shock effects on the abundance and distribution of water in Mars minerals.

Rutherford, Malcolm J.↗
NASA NTRS2007

Preservation of Reduced Carbon on Mars: Implications for Understanding Habitability

Upcoming Mars missions (e.g., Mars Science Laboratory, ExoMars, Astrobiology Field Laboratory, and Mars Sample Return) will search for evidence of extant and fossil microbial habitats and the potential for future habitation. Understanding the distribution and composition of reduced carbon (or organic carbon) is critical for unraveling the Martian carbon cycle, potential for life, and possible biosignature record. Reduced carbon may be produced from biological, geochemical, or interstellar processes; however, evidence for reduced carbon on Mars is lacking with the exception of parts per billion of atmospheric methane. In contrast, abundant atmospheric carbon dioxide may reflect surface oxidation of reduced carbon and accumulation over geological timescales. This suggests that there is an undetected or lost pool of reduced carbon - a pool that may host molecular biosignatures, a characteristic of extant or extinct habitability. In this presentation, we will evaluate factors influencing the preservation potential for organic molecules in rocks on Earth and Martian. We,draw examples from organic molecules in sulfates, basalts, and ancient shales from Mars-analog settings to show how the distribution of organics and their structural patterns will aid Mars habitability studies.

Conrad, Pamela↗
NASA NTRS2008

Ocean Carbon and Biogeochemistry Scoping Workshop on Terrestrial and Coastal Carbon Fluxes in the Gulf of Mexico, St. Petersburg, FL

Despite their relatively small surface area, ocean margins may have a significant impact on global biogeochemical cycles and, potentially, the global air-sea fluxes of carbon dioxide. Margins are characterized by intense geochemical and biological processing of carbon and other elements and exchange large amounts of matter and energy with the open ocean. The area-specific rates of productivity, biogeochemical cycling, and organic/inorganic matter sequestration are high in coastal margins, with as much as half of the global integrated new production occurring over the continental shelves and slopes (Walsh, 1991; Doney and Hood, 2002; Jahnke, in press). However, the current lack of knowledge and understanding of biogeochemical processes occurring at the ocean margins has left them largely ignored in most of the previous global assessments of the oceanic carbon cycle (Doney and Hood, 2002). A major source of North American and global uncertainty is the Gulf of Mexico, a large semi-enclosed subtropical basin bordered by the United States, Mexico, and Cuba. Like many of the marginal oceans worldwide, the Gulf of Mexico remains largely unsampled and poorly characterized in terms of its air-sea exchange of carbon dioxide and other carbon fluxes. The goal of the workshop was to bring together researchers from multiple disciplines studying terrestrial, aquatic, and marine ecosystems to discuss the state of knowledge in carbon fluxes in the Gulf of Mexico, data gaps, and overarching questions in the Gulf of Mexico system. The discussions at the workshop were intended to stimulate integrated studies of marine and terrestrial biogeochemical cycles and associated ecosystems that will help to establish the role of the Gulf of Mexico in the carbon cycle and how it might evolve in the face of environmental change.

Air sea exchanges↗
NASA NTRS1988

Geochemical cycles of atmospheric gases

The processes that control the atmosphere and atmospheric changes are reviewed. The geochemical cycles of water vapor, nitrogen, carbon dioxide, oxygen, and minor atmospheric constituents are examined. Changes in atmospheric chemistry with time are discussed using evidence from the rock record and analysis of the present atmosphere. The role of biological evolution in the history of the atmosphere and projected changes in the future atmosphere are considered.

Walker, J. C. G.↗