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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

L-plastin phosphorylation regulates the early phase of sealing ring formation by actin bundling process in mouse osteoclasts

Highlights: • L-plastin regulates actin bundling process involved in the formation of nascent sealing zones. • Nascent sealing zone (NSZ) is considered as precursor zone for the matured sealing ring. • This is the first study to show the formation of NSZs prior to sealing rings. • Our studies identify LPL as a possible novel therapeutic target for bone resorption and loss. The process of sealing ring formation requires major actin filament reorganization. We previously demonstrated that an actin-bundling protein L-plastin has a role in the cross-linking of actin filaments into tight bundles and forms actin aggregates (denoted as nascent sealing zones). These nascent sealing zones mature into fully functional sealing rings. We have shown here that TNF-alpha signaling regulates the phosphorylation of serine-5 and -7 in L-plastin which increases the actin bundling capacity of L-plastin and hence the formation of nascent sealing zones in mouse osteoclasts. Using the TAT-mediated transduction method, we confirmed the role of L-plastin in nascent sealing zones formation at the early phase of the sealing ring assembly. Transduction of TAT-fused full-length L-plastin peptide significantly increases the number of nascent sealing zones and therefore sealing rings. But, transduction of amino-terminal L-plastin peptides consisting of the serine-5 and -7 reduces the formation of both nascent sealing zones and sealing rings. Therefore, bone resorption in vitro was reduced considerably. The decrease was associated with the selective inhibition of cellular L-plastin phosphorylation by the transduced peptides. Neither the formation of podosomes nor the migration was affected in these osteoclasts. Phosphorylation of L- plastin on serine 5 and -7 residues increases the F-actin bundling capacity. The significance of our studies stands on laying the groundwork for a better understanding of L-plastin as a potential regulator at the early phase of sealing ring formation and could be a new therapeutic target to treat bone loss.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Laser Ablation Molecular Isotopic Spectrometry for Molecules Formation Chemistry in Femtosecond-Laser Ablated Plasmas

Recently, laser ablated molecular isotopic spectrometry (LAMIS) has expanded its capability to explore molecules formation mechanism in laser-induced plasma in addition to isotope analysis. LAMIS is a powerful tool for tracking the origination of atoms that is involved in formation of investigated molecules by labeling atoms with their isotopic substitution. The evolutionary formation pathways of organic molecules, especially of C 2 dimers and CN radicals, were frequently reported. However, very little is known about the formation pathways for metallic radicals and heterodimers in laser ablated plasma. This research focuses on elucidating the formation pathways of AlO radicals in femtosecond laser ablated plasma from 18 O-labeled Al 2 O 3 pellet. Plasmas expanding with strong forward bias in the direction normal to the sample surface were generated in the wake of a weakly ionized channel created by a femtosecond laser. The formation mechanism of AlO and influence of air were investigated with multiple plasma diagnostic methods such as monochromatic fast gating imaging, spatiotemporal resolved optical emission spectroscopy, and LAMIS. An advanced LAMIS fitting procedure was used to deduce the spatiotemporal distributions of Al 18 O and Al 16 O number densities and also their ratios. We found that the Al 16 O/Al 18 O number density ratio is higher for plasma portion closer to the sample surface, which suggests that chemical reactions between the plasma plume and ambient air are more intense at the tail of the plasma. The results also reveals that direct association of free Al and O atoms is the main mechanism for the formation of AlO at the early stage of the plasma. Finally, to the contrast, chemical reactions between plasma materials and ambient oxygen molecules and the isotope exchange effect are the dominant mechanisms of the formation of AlO and evolution of Al 16 O/Al 18 O number density ratio at the late stage of the plasma.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Adsorption kinetics dictate monolayer self-assembly for both lipid-in and lipid-out approaches to droplet interface bilayer formation

The droplet interface bilayer (DIB) is a method to assemble planar lipid bilayer membranes between lipid-coated aqueous droplets and has gained popularity among researchers in many fields. Well-packed lipid monolayer on aqueous droplet–oil interfaces is a prerequisite for successfully assembling DIBs. Such monolayers can be achieved by two different techniques: “lipid-in”, in which phospholipids in the form of liposomes are placed in water, and “lipid-out”, in which phospholipids are placed in oil as inverse micelles. While both approaches are capable of monolayer assembly needed for bilayer formation, droplet pairs assembled with these two techniques require significantly different incubation periods and exhibit different success rates for bilayer formation. In our study, we combine experimental interfacial tension measurements with molecular dynamics simulations of phospholipids (DPhPC and DOPC) assembled from water and oil origins to understand the differences in kinetics of monolayer formation. With the results from simulations and by using a simplified model to analyze dynamic interfacial tensions, we conclude that, at high lipid concentrations common to DIBs, monolayer formation is simple adsorption controlled for lipid-in technique, whereas it is predominantly adsorption-barrier controlled for the lipid-out technique due to the interaction of interface-bound lipids with lipid structures in the subsurface. The adsorption barrier established in lipid-out technique leads to a prolonged incubation time and lower bilayer formation success rate, proving a good correlation between interfacial tension measurements and bilayer formation. Also, we clarify that advective flow expedites monolayer formation and improves bilayer formation success rate by disrupting lipid structures, rather than enhancing diffusion, in the subsurface and at the interface for lipid-out technique. Additionally, electrical properties of DIBs formed with varying lipid placement and type are characterized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Unraveling the Formation Mechanism of a Hybrid Zr-Based Chemical Conversion Coating with Organic and Copper Compounds for Corrosion Inhibition

Environmental-friendly chromate-free, zirconium (Zr)-based conversion coating is a promising green technology for corrosion protection. Additives in the surface treatment provides critical functionalities and performance improvements; however, mechanistic understanding as of how the additives influence the coatings remains unclear. In this study, a new organic-inorganic hybrid Zrbased conversion coating which combines copper (Cu) compounds and polyamidoamine (PAMAM), taking advantages of a complementary nature of organic and inorganic additives. Here, a multimodal approach combining electron and X-ray characterization is applied to study the interaction of Cu 2+ and PAMAM and the resulting impacts on the coating formation. Adding PAMAM changed the surface morphology, thickness, distribution of Cu in the cluster and void formation of the coatings. High PAMAM (100-200 pm) leads to little conversion coating formation, and low PAMAM (0-25 ppm) shows voids formation under the coatings. Moreover, PAMAM incorporates in the coating in a form of PAMAM-Cu complex with a higher concentration towards the surface, provides an organic layer at the surface of the coating. X-ray absorption near-edge structure (XANES) spectroscopy shows a difference between the conventional and hybrid coating treatments in an alkaline solution to simulate the E-coat process, suggesting the contribution of PAMAM in the enhanced chemical stability in an alkaline environment. Therefore, an intermediate range of addition of PAMAM (50 ppm) is optimal to 1) avoid excessive voids formation, 2) promote some Cu cluster formation and thus enhancing the Zr-based coating formation and 3) incorporate organic components into the coating to improve the adhesion of the subsequent coatings. Overall, this work furthers our knowledge on the formation mechanism of an effective and environmentally friendly hybrid conversion coating for corrosion inhibition, demonstrating a critical processing-structureproperty relationship. This study will benefit future development of green and effective surface treatment technology.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

The Role of Dimer Formation in the Nucleation of Superlattice Transformations and Its Impact on Disorder

The formation of defect-free two-dimensional nanocrystal (NC) superstructures remains a challenge as persistent defects hinder charge delocalization and related device performance. Understanding defect formation is an important step toward developing strategies to mitigate their formation. However, specific mechanisms of defect formation are difficult to determine, as superlattice phase transformations that occur during fabrication are quite complex and there are a variety of factors influencing the disorder in the final structure. Here, we use Molecular Dynamics (MD) and electron microscopy in concert to investigate the nucleation of the epitaxial attachment of lead chalcogenide (PbX, where X = S, Se) NC assemblies. We use an updated implementation of an existing reactive force field in an MD framework to investigate how initial orientational (mis)alignment of the constituent building blocks impacts the final structure of the epitaxially connected superlattice. This Simple Molecular Reactive Force Field (SMRFF) captures both short-range covalent forces and long-range electrostatic forces and allows us to follow orientational and translational changes of NCs during superlattice transformation. Our simulations reveal how robust the oriented attachment is with regard to the initial configuration of the NCs, measuring its sensitivity to both in-plane and out-of-plane misorientation. We show that oriented attachment nucleates through the initial formation of dimers, which corroborate experimentally observed structures. We present high-resolution structural analysis of dimers at early stages of the superlattice transformation and rationalize their contribution to the formation of defects in the final superlattice. Collectively, the simulations and experiments presented in this paper provide insights into the nucleation of NC oriented attachment, the impact of the initial configuration of NCs on the structural fidelity of the final epitaxially connected superlattice, and the propensity to form commonly observed defects, such as missing bridges and atomic misalignment in the superlattice due to the formation of dimers. Here, we present potential strategies to mitigate the formation of superlattice defects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

BSE versus StarTrack: Implementations of new wind, remnant-formation, and natal-kick schemes in NBODY7 and their astrophysical consequences

As a result of their formation via massive single and binary stellar evolution, the masses of stellar-remnant black holes (BH) are subjects of great interest in this era of gravitational-wave detection from binary black hole (BBH) and binary neutron star merger events. In this work, we present new developments in the stellar-remnant formation and related schemes of the current N-body evolution program NBODY7. We demonstrate that the newly implemented stellar-wind and remnant-formation schemes in the stellar-evolutionary sector or BSE of the NBODY7 code, such as the “rapid” and the “delayed” supernova (SN) schemes along with an implementation of pulsational-pair-instability and pair-instability supernova (PPSN/PSN), now produce neutron star (NS) and BH masses that agree nearly perfectly, over large ranges of zero-age-main-sequence (ZAMS) mass and metallicity, with those from the widely recognised StarTrack population-synthesis program. We also demonstrate the new, recipe-based implementations of various widely debated mechanisms of natal kicks on NSs and BHs, such as “convection-asymmetry-driven”, “collapse-asymmetry-driven”, and “neutrino-emission-driven” kicks, in addition to a fully consistent implementation of the standard, fallback-dependent, momentum-conserving natal kick. All the above newly implemented schemes are also shared with the standalone versions of SSE and BSE. Furthermore, all these demonstrations are performed with both the updated standalone BSE and the updated NBODY7/BSE. When convolved with stellar and primordial-binary populations as observed in young massive clusters, such remnant-formation and natal-kick mechanisms crucially determine the accumulated number, mass, and mass distribution of the BHs retained in young massive, open, and globular clusters (GCs); these BHs would eventually become available for long-term dynamical processing. Among other conclusions, we find that although the newer, delayed SN remnant formation model gives birth to the largest number (mass) of BHs, the older remnant-formation schemes cause the largest number (mass) of BHs to survive in clusters, when incorporating SN material fallback onto the BHs. The SN material fallback also causes the convection-asymmetry-driven SN kick to effectively retain similar numbers and masses of BHs in clusters as for the standard, momentum-conserving kick. The collapse-asymmetry-driven SN kick would cause nearly all BHs to be retained in clusters irrespective of their mass, remnant-formation model, and metallicity, whereas the inference of a large population of BHs in GCs would potentially rule out the neutrino-driven SN kick mechanism. Pre-SN mergers of massive primordial binaries would potentially cause BH masses to deviate from the theoretical, single-star ZAMS to mass-remnant mass relation unless a substantial of the total merging stellar mass of up to ≈40% is lost during a merger process. In particular, such mergers, at low metallicities, have the potential to produce low-spinning BHs within the PSN mass gap that can be retained in a stellar cluster and be available for subsequent dynamical interactions. As recent studies indicate, the new remnant-formation modelling reassures us that young massive and open clusters would potentially contribute to the dynamical BBH merger detection rate to a similar extent as their more massive GC counterparts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Theoretical and experimental study of the formation conditions of stepped leaders in negative flashes

Natural lightning flashes are stochastic and uncontrollable, and thus, it is difficult to observe the formation process of a downward negative stepped leader (NSL) directly and in detail. This situation has led to some dispute over the actual NSL formation mechanism, and thus has hindered improvements in the lightning shielding analysis model. In this paper, on the basis of controllable long air gap discharge experiments, the formation conditions required for NSLs in negative flashes have been studied. First, a series of simulation experiments on varying scales were designed and carried out. The NSL formation processes were observed, and several of the characteristic process parameters, including the scale, the propagation velocity, and the dark period, were obtained. By comparing the acquired formation processes and the characteristic parameters with those in natural lightning flashes, the similarity between the NSLs in the simulation experiments and those in natural flashes was proved. Then, based on the local thermodynamic equation and the space charge estimation method, the required NSL formation conditions were deduced, and the space background electric field (E{sub b}) was proposed as the primary parameter for NSL formation. Finally, the critical value of E{sub b} required for the formation of NSLs in natural flashes was determined to be approximately 75 kV/m by extrapolation of the results of the simulation experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Variations in the star formation efficiency of the dense molecular gas across the disks of star-forming galaxies

We present a new survey of HCN(1–0) emission, a tracer of dense molecular gas, focused on the little-explored regime of normal star-forming galaxy disks. Combining HCN, CO, and infrared (IR) emission, we investigate the role of dense gas in star formation, finding systematic variations in both the apparent dense gas fraction (traced by the HCN-to-CO ratio) and the apparent star formation efficiency of dense gas (traced by the IR-to-HCN ratio). The latter may be unexpected, given the recent popularity of gas density threshold models to explain star formation scaling relations. Our survey used the IRAM 30 m telescope to observe HCN(1–0), CO(1–0), and several other emission lines across 29 nearby disk galaxies whose CO(2–1) emission has previously been mapped by the HERACLES survey. We detected HCN in 48 out of 62 observed positions. Because our observations achieve a typical resolution of ∼1.5 kpc and span a range of galaxies and galactocentric radii (56% lie at r{sub gal}>1 kpc), we are able to investigate the properties of the dense gas as a function of local conditions in a galaxy disk. We focus on how the ratios IR-to-CO, HCN-to-CO, and IR-to-HCN (observational cognates of the star formation efficiency, dense gas fraction, and dense gas star formation efficiency) depend on the stellar surface density, Σ{sub star}, and the molecular-to-atomic gas ratio, Σ{sub mol}/Σ{sub atom}. The HCN-to-CO ratio is low, often ∼1/30, and correlates tightly with both the molecular-to-atomic ratio and the stellar mass surface density across a range of 2.1 dex (factor of ≈125) in both parameters. Thus for the assumption of fixed CO-to-H{sub 2} and HCN-to-dense gas conversion factors, the dense gas fraction depends strongly on location in the disk, being higher in the high surface density, highly molecular parts of galaxies. At the same time, the IR-to-HCN ratio (closely related to the star formation efficiency of dense molecular gas) decreases systematically with these same parameters and is ∼6–8 times lower near galaxy centers than in the outer regions of the galaxy disks. For fixed conversion factors, these results are incompatible with a simple model in which star formation depends only on the amount of gas mass above some density threshold. Moreover, only a very specific set of environment-dependent conversion factors can render our observations compatible with such a model. Whole cloud models, such as the theory of turbulence regulated star formation, do a better job of matching our observations. We explore one such model in which variations in the Mach number drive many of the trends within galaxy disks, while density contrasts drive the differences between disk and merging galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

HERSCHEL OBSERVATIONS OF THE W3 GMC: CLUES TO THE FORMATION OF CLUSTERS OF HIGH-MASS STARS

The W3 GMC is a prime target for the study of the early stages of high-mass star formation. We have used Herschel data from the HOBYS key program to produce and analyze column density and temperature maps. Two preliminary catalogs were produced by extracting sources from the column density map and from Herschel maps convolved to 500 {mu}m resolution. Herschel reveals that among the compact sources (FWHM < 0.45 pc), W3 East, W3 West, and W3 (OH) are the most massive and luminous and have the highest column density. Considering the unique properties of W3 East and W3 West, the only clumps with ongoing high-mass star formation, we suggest a 'convergent constructive feedback' scenario to account for the formation of a cluster with decreasing age and increasing system/source mass toward the innermost regions. This process, which relies on feedback by high-mass stars to ensure the availability of material during cluster formation, could also lead to the creation of an environment suitable for the formation of Trapezium-like systems. In common with other scenarios proposed in other HOBYS studies, our results indicate that an active/dynamic process aiding in the accumulation, compression, and confinement of material is a critical feature of the high-mass star/cluster formation, distinguishing it from classical low-mass star formation. The environmental conditions and availability of triggers determine the form in which this process occurs, implying that high-mass star/cluster formation could arise from a range of scenarios: from large-scale convergence of turbulent flows to convergent constructive feedback or mergers of filaments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

STAR FORMATION IN NUCLEAR RINGS OF BARRED GALAXIES

Nuclear rings in barred galaxies are sites of active star formation. We use hydrodynamic simulations to study the temporal and spatial behavior of star formation occurring in nuclear rings of barred galaxies where radial gas inflows are triggered solely by a bar potential. The star formation recipes include a density threshold, an efficiency, conversion of gas to star particles, and delayed momentum feedback via supernova explosions. We find that the star formation rate (SFR) in a nuclear ring is roughly equal to the mass inflow rate to the ring, while it has a weak dependence on the total gas mass in the ring. The SFR typically exhibits a strong primary burst followed by weak secondary bursts before declining to very small values. The primary burst is associated with the rapid gas infall to the ring due to the bar growth, while the secondary bursts are caused by re-infall of the ejected gas from the primary burst. While star formation in observed rings persists episodically over a few Gyr, the duration of active star formation in our models lasts for only about half of the bar growth time, suggesting that the bar potential alone is unlikely to be responsible for gas supply to the rings. When the SFR is low, most star formation occurs at the contact points between the ring and the dust lanes, leading to an azimuthal age gradient of young star clusters. When the SFR is large, on the other hand, star formation is randomly distributed over the whole circumference of the ring, resulting in no apparent azimuthal age gradient. Since the ring shrinks in size with time, star clusters also exhibit a radial age gradient, with younger clusters found closer to the ring. The cluster mass function is well described by a power law, with a slope depending on the SFR. Giant gas clouds in the rings have supersonic internal velocity dispersions and are gravitationally bound.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

UNLEASHING POSITIVE FEEDBACK: LINKING THE RATES OF STAR FORMATION, SUPERMASSIVE BLACK HOLE ACCRETION, AND OUTFLOWS IN DISTANT GALAXIES

Pressure-regulated star formation is a simple variant on the usual supernova-regulated star formation efficiency that controls the global star formation rate as a function of cold gas content in star-forming galaxies, and accounts for the Schmidt-Kennicutt law in both nearby and distant galaxies. Inclusion of active galactic nucleus (AGN) induced pressure, by jets and/or winds that flow back onto a gas-rich disk, can lead, under some circumstances, to significantly enhanced star formation rates, especially at high redshift and most likely followed by the more widely accepted phase of star formation quenching. Simple expressions are derived that relate supermassive black hole growth, star formation, and outflow rates. The ratios of black hole to spheroid mass and of both black hole accretion and outflow rates to star formation rate are predicted as a function of time. I suggest various tests of the AGN-triggered star formation hypothesis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Resolved H I imaging of a population of massive H I-rich galaxies with suppressed star formation

Despite the existence of well-defined relationships between cold gas and star formation, there is evidence that some galaxies contain large amounts of H I that do not form stars efficiently. By systematically assessing the link between H I and star formation within a sample of galaxies with extremely high H I masses (log M{sub H{sub I}}/M{sub ☉} > 10), we uncover a population of galaxies with an unexpected combination of high H I masses and low specific star formation rates that exists primarily at stellar masses greater than log M{sub *}/M{sub ☉} ∼ 10.5. We obtained H I maps of 20 galaxies in this population to understand the distribution of the H I and the physical conditions in the galaxies that could be suppressing star formation in the presence of large quantities of H I. We find that all of the galaxies we observed have low H I surface densities in the range in which inefficient star formation is common. The low H I surface densities are likely the main cause of the low specific star formation rates, but there is also some evidence that active galactic nuclei or bulges contribute to the suppression of star formation. The sample's agreement with the global star formation law highlights its usefulness as a tool for understanding galaxies that do not always follow expected relationships.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

ON THE LIKELIHOOD OF PLANET FORMATION IN CLOSE BINARIES

To date, several exoplanets have been discovered orbiting stars with close binary companions (a ≲ 30 AU). The fact that planets can form in these dynamically challenging environments implies that planet formation must be a robust process. The initial protoplanetary disks in these systems from which planets must form should be tidally truncated to radii of a few AU, which indicates that the efficiency of planet formation must be high. Here, we examine the truncation of circumstellar protoplanetary disks in close binary systems, studying how the likelihood of planet formation is affected over a range of disk parameters. If the semimajor axis of the binary is too small or its eccentricity is too high, the disk will have too little mass for planet formation to occur. However, we find that the stars in the binary systems known to have planets should have once hosted circumstellar disks that were capable of supporting planet formation despite their truncation. We present a way to characterize the feasibility of planet formation based on binary orbital parameters such as stellar mass, companion mass, eccentricity, and semimajor axis. Using this measure, we can quantify the robustness of planet formation in close binaries and better understand the overall efficiency of planet formation in general.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ON THE STAR FORMATION-AGN CONNECTION AT z {approx}< 0.3

Using the spectra of a sample of {approx}28,000 nearby obscured active galaxies from Data Release 7 of the Sloan Digital Sky Survey (SDSS), we probe the connection between active galactic nucleus (AGN) activity and star formation over a range of radial scales in the host galaxy. We use the extinction-corrected luminosity of the [O III] 5007 A line as a proxy of intrinsic AGN power and supermassive black hole (SMBH) accretion rate. The star formation rates (SFRs) are taken from the MPA-JHU value-added catalog and are measured through the 3'' SDSS aperture. We construct matched samples of galaxies covering a range in redshifts. With increasing redshift, the projected aperture size encompasses increasing amounts of the host galaxy. This allows us to trace the radial distribution of star formation as a function of AGN luminosity. We find that the star formation becomes more centrally concentrated with increasing AGN luminosity and Eddington ratio. This implies that such circumnuclear star formation is associated with AGN activity, and that it increasingly dominates over omnipresent disk star formation at higher AGN luminosities, placing critical constraints on theoretical models that link host galaxy star formation and SMBH fueling. We parameterize this relationship and find that the star formation on radial scales <1.7 kpc, when including a constant disk component, has a sub-linear dependence on SMBH accretion rate: SFR{proportional_to} M-dot {sup 0.36}, suggesting that angular momentum transfer through the disk limits accretion efficiency rather than the supply from stellar mass loss.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Improved Characterization and Modeling of Tight Oil Formations for CO 2 Enhanced Oil Recovery Potential and Storage Capacity Estimation

Tight oil formations such as those in the Bakken petroleum system are known to hold hundreds of billions of barrels of oil in place; however, the primary recovery factor for these plays is typically less than 10%. Tight oil formations, including the Bakken Formation, therefore, may be attractive candidates for enhanced oil recovery (EOR) using CO 2 . Multiphase fluid behavior and flow in fluid-rich shales can vary substantially depending on the size of pore throats, and properties such as fluid viscosity and density are much different in nanoscale pores than in macroscale pores. Thus it is critical to understand the nature and distribution of nano-, micro-, and macroscale pores and fracture networks. To address these issues, the Energy & Environmental Research Center (EERC) has been conducting a research program entitled “Improved Characterization and Modeling of Tight Oil Formations for CO 2 Enhanced Oil Recovery Potential and Storage Capacity Estimation.” The objectives of the project are 1) the use of advanced characterization methods to better understand and quantify the petrophysical and geomechanical factors that control CO 2 and oil mobility within tight oil formation samples, 2) the determination of CO 2 permeation and oil extraction rates in tight reservoir rocks and organic-rich shales of the Bakken, and 3) the integration of the laboratory-based CO 2 permeation and oil extraction data and the characterization data into geologic models and dynamic simulations to develop predictions of CO 2 storage resource and EOR in the Bakken tight oil formation. A combination of standard and advanced petrophysical characterization techniques were applied to characterize samples of Bakken Formation tight reservoir rock and shales from multiple wells. Techniques included advanced computer tomography (CT) imaging, scanning electron microscopy (SEM) techniques, whole-core and micro x-ray CT imaging, field emission (FE) SEM, and focused ion beam (FIB) SEM. Selected samples were also analyzed for geomechanical properties. X-ray CT imaging yielded information on the occurrence of fractures, bedding planes, fossils, and bioturbation in core, as well as data on bulk density and photoelectric factor logs, which were used to interpret porosity, organic content, and mineralogy. FESEM was used for characterization of nano- and microscale features, including nanoscale pore visualization and micropore and pore throat mineralogy. FIBSEM yielded micro- to nanoscale visualization of fracture networks, porosity and pore-size distribution, connected versus isolated porosity, and distribution of organics. Results from the characterization activities provide insight on nanoscale fracture properties, pore throat mineralogy and connectivity, rock matrix characteristics, mineralogy, and organic content. Laboratory experiments demonstrated that CO 2 can permeate the tight matrix of Bakken shale and nonshale reservoir samples and mobilize oil from those samples. Geologic models were created at scales ranging from the core plug to the reservoir, and dynamic simulations were conducted. The data from the characterization and laboratory-based activities were integrated into modeling research activities to determine the fundamental mechanisms controlling fluid transport in the Bakken, which support EOR scheme design and estimation of CO 2 storage potential in tight oil formations. Simulation results suggest a CO 2 storage resource estimate range of 169 million to 1.5 billion tonnes for the Bakken in North Dakota, possibly resulting in 1.8 billion to 16 billion barrels of incremental oil.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2022

Small field campaign: aerosol – ice formation closure pilot study. Final Report

Prediction of atmospheric ice formation from aerosol particles by heterogeneous nucleation represents one of the grand challenges in atmospheric science. Our insufficient predictive understanding of primary ice formation is the reason that climate models typically do not include heterogeneous ice nucleation with subsequent effects on climate uncertainty. Mixed-phase clouds, where supercooled water droplets and ice crystals coexist play globally an important role regulating climate. This is especially the case for the Arctic region that experiences the greatest warming due to climate change compared to other regions in the world. Immersion freezing initiated by ice-nucleating particles (INPs) in supercooled water droplets is recognized as the dominant primary ice formation pathway in mixed-phase cloud regimes. For this reason, it is crucial to evaluate our capability to predict immersion freezing for a given ambient aerosol population. The goal of this project is conducting a field-based pilot study at the U.S. DOE Atmospheric Radiation Measurement (ARM) user facility at Southern Great Plains (SGP) to evaluate our capability to predict the number concentration of aerosol particles that serve as INPs in the immersion freezing mode. Successful prediction of INP number concentrations is also termed “closure”. This field-observational approach represents a first-of-its kind attempt of an aerosol–ice formation closure study (AEROICESTUDY). Very few closure studies related to INPs have been conducted, and to our knowledge, none using robust size-resolved ambient aerosol composition measurements as a starting point. Achievement of aerosol–ice formation closure relies on our ability to characterize the ambient aerosol population with respect to particles size and composition and to determine INP number concentrations for specified freezing temperatures. This requires numerous online and offline instrumentation resulting in this pilot field campaign being a multi-institutional and community-collaborative effort. We chose the ARM SGP megasite for this first aerosol-ice formation closure pilot study due to its significant measurement capabilities available to obtain detailed physical characterization of the local aerosol population including size distribution, mass loading, and chemical composition of non-refractory aerosol particles. The overall objective of this project is to identify ice nucleation parameterizations that produce the most robust predictions of INP numbers and thus are best suited to be included in cloud and climate models. This objective includes the following goals for this field and laboratory-based project: i) What are the crucial aerosol physicochemical property measurements needed to accurately guide ice nucleation representations in models and long-term INP measurements? ii) What level of parameter details needs to be known to achieve aerosol–ice formation closure? iii) What are the leading causes for climate model bias in INP predictions? We found that the advances in our understanding of immersion freezing garnered over the last 20 years allowed us to yield partial and full closures of atmospheric immersion freezing from ambient aerosol particles. When the aerosol population is physicochemically complex and parameterizations for representative INP types are not yet available, we still struggle to accurately predict INP number concentrations. This project clearly demonstrates that with more laboratory and field measurements that are accompanied by particle composition analysis, the necessary datasets to achieve aerosol–ice formation closure for various locations will emerge, thus providing a robust foundation for guiding the representation of INPs in cloud and climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

THE IMPRINT OF EXOPLANET FORMATION HISTORY ON OBSERVABLE PRESENT-DAY SPECTRA OF HOT JUPITERS

The composition of a planet’s atmosphere is determined by its formation, evolution, and present-day insolation. A planet’s spectrum therefore may hold clues on its origins. We present a “chain” of models, linking the formation of a planet to its observable present-day spectrum. The chain links include (1) the planet’s formation and migration, (2) its long-term thermodynamic evolution, (3) a variety of disk chemistry models, (4) a non-gray atmospheric model, and (5) a radiometric model to obtain simulated spectroscopic observations with James Webb Space Telescope and ARIEL. In our standard chemistry model the inner disk is depleted in refractory carbon as in the Solar System and in white dwarfs polluted by extrasolar planetesimals. Our main findings are: (1) envelope enrichment by planetesimal impacts during formation dominates the final planetary atmospheric composition of hot Jupiters. We investigate two, under this finding, prototypical formation pathways: a formation inside or outside the water iceline, called “dry” and “wet” planets, respectively. (2) Both the “dry” and “wet” planets are oxygen-rich (C/O < 1) due to the oxygen-rich nature of the solid building blocks. The “dry” planet’s C/O ratio is <0.2 for standard carbon depletion, while the “wet” planet has typical C/O values between 0.1 and 0.5 depending mainly on the clathrate formation efficiency. Only non-standard disk chemistries without carbon depletion lead to carbon-rich C/O ratios >1 for the “dry” planet. (3) While we consistently find C/O ratios <1, they still vary significantly. To link a formation history to a specific C/O, a better understanding of the disk chemistry is thus needed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Dynamics of Gas Flow and Hydrate Formation within the Hydrate Stability Zone

Methane hydrate comprises a significant piece of the global carbon cycle and is an important potential energy resource. Thick marine sands around the world contain free gas beneath and high concentrations of methane hydrate far above the base of the hydrate stability zone. The mechanisms controlling gas transport and hydrate formation within the region where hydrate is stable remains an important research question. I developed a new experimental method to investigate the fundamental behaviors associated with hydrate formation during gas flow into the hydrate stability zone. First, I performed a set of experiments at the same experimental conditions, to determine the repeatability of this behavior. I compared these results to those from an experiment performed outside the hydrate stability zone to elucidate the change in intrinsic gas flow behavior due to hydrate formation. Second, I performed additional experiments at a range of flow rates as well as several shut-in experiments, where I observed long-term hydrate formation after flow took place. I analyzed the bulk and core-scale behaviors of these experiments using a combination of mass balance and computed-tomography analyses. I found that many of my experimentally observed behaviors are not accurately described by previous models and that the mechanism for gas transport was fundamentally different than typically assumed. I proposed that hydrate formation at the gas-brine interface separates the gas and brine phases and limits hydrate formation to methane transport through the hydrate. This behavior produced temporary flow blockages that were mitigated when the hydrate skin fails due to pressure gradients across the sample. This behavior also produced different thermodynamics states on either side of the hydrate that could persist for hundreds to thousands of years. These results provide an alternative mechanism for gas transport and hydrate formation through the hydrate stability zone that does not require the gas, hydrate, and brine to be at three-phase equilibrium. This mechanism provides a first-order connection between experimentally observed micro-scale phenomena and field-scale gas transport and hydrate formation behaviors in these reservoirs.

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