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NASA NTRS1991

The dynamics of dense and dilute clusters of drops evaporating in large, coherent vortices

The behavior of evaporating clusters of drops embedded into large, coherent vortices is described using a formulation which is valid for both dense and dilute clusters. Drops and gas interact both dynamically and thermodynamically. Dynamic coupling occurs through a force on the drops due to drag resulting from a slip velocity between the two phases. The net interaction force on the gas with drops is due to a source thrust from evaporation plus drag on each drop. The drag coefficient accounts for blowing from the drop surface. Thermodynamic coupling is a result of drop heating and evaporation. Limitations due to drop proximity on heating and evaporation are taken into account. The vortical motion of the drops in the cluster results in the formation of a core region devoid of drops at the center of the vortex, and a shell region containing the drops and surrounding the inner core. Results are presented showing the dependence of the evaporation time, the final to initial volume ratio and the final to initial shell thickness ratio upon the initial air/fuel mass ratio and as a function of the initial tangential velocities, upon the initial Stokes number, initial drop radius and initial outer cluster radius. Differences in behavior between and control parameters of dense and dilute clusters are pointed out by these new results. It is found that for dense clusters the final to initial volume ratio and final to initial shell thickness scale with the initial Stokes number, a new result which must be validated experimentally.

Bellan, J.↗

NASA NTRS1993

Os isotopes in SNC meteorites and their implications to the early evolution of Mars and Earth

A new development on the measurement of the Os isotopic composition by mass spectrometry using negative ions opened a new field of applications. The Re-Os systematic provides time information on the differentiation of the nobel metals. The nobel metals are strongly partitioned into metal and sulphide phases, but also the generation of silicate melts might fractionate the Re-Os system. Compared to the other isotopic systems which are mainly dating the fractionation of the alkalis and alkali-earth elements, the Re-Os system is expected to disclose entirely new information about the geochemistry. Especially the differentiation and early evolution of the planets such as the formation of the core will be elucidated with this method.

Jagoutz, E.↗

NASA NTRS1994

EGRET upper limits to the high-energy gamma-ray emission from the millisecond pulsars in nearby globular clusters

We report upper limits to the high-energy gamma-ray emission from the millisecond pulsars (MSPs) in a number of globular clusters. The observations were done as part of an all-sky survey by the energetic Gamma Ray Experiment Telescope (EGRET) on the Compton Gamma Ray Observatory (CGRO) during Phase I of the CGRO mission (1991 June to 1992 November). Several theoretical models suggest that MSPs may be sources of high-energy gamma radiation emitted either as primary radiation from the pulsar magnetosphere or as secondary radiation generated by conversion into photons of a substantial part of the relativistic e(+/-) pair wind expected to flow from the pulsar. To date, no high-energy emission has been detected from an individual MSP. However, a large number of MSPs are expected in globular cluster cores where the formation rate of accreting binary systems is high. Model predictions of the total number of pulsars range in the hundreds for some clusters. These expectations have been reinforced by recent discoveries of a substantial number of radio MSPs in several clusters; for example, 11 have been found in 47 Tucanae (Manchester et al.). The EGRET observations have been used to obtain upper limits for the efficiency eta of conversion of MSP spin-down power into hard gamma rays. The upper limits are also compared with the gamma-ray fluxes predicted from theoretical models of pulsar wind emission (Tavani). The EGRET limits put significant constraints on either the emission models or the number of pulsars in the globular clusters.

Michelson, P. F.↗

NASA NTRS2002

The Fourier-Kelvin Stellar Interferometer Mission Concept

The Fourier-Kelvin Stellar Interferometer (FKSI) is a mission concept for an imaging interferometer for the mid-infrared spectral region (5-30 microns). FKSI is conceived as a scientific and technological precursor to TPF as well as Space Infrared Interferometric Telescope (SPIRIT), Submillimeter Probe Evolution of Cosmic Structure (SPECS), and Single Aperture for Infrared Observatory (SAFIR). It will also be a high angular resolution system complementary to Next Generation Space Telescope (NGST). The scientific emphasis of the mission is on the evolution of protostellar systems, from just after the collapse of the precursor molecular cloud core, through the formation of the disk surrounding the protostar, the formation of planets in the disk, and eventual dispersal of the disk material. FKSI will also search for brown dwarfs and Jupiter mass and smaller planets, and could also play a very powerful role in the investigation of the structure of active galactic nuclei and extra-galactic star formation. We are in the process of studying alternative interferometer architectures and beam combination techniques, and evaluating the relevant science and technology tradeoffs. Some of the technical challenges include the development of the cryocooler systems necessary for the telescopes and focal plane array, light and stiff but well-damped truss systems to support the telescopes, and lightweight and coolable optical telescopes. The goal of the design study is to determine if a mid-infrared interferometry mission can be performed within the cost and schedule requirements of a Discovery class mission. At the present time we envision the FKSI as comprised of five one meter diameter telescopes arranged along a truss structure in a linear non-redundant array, cooled to 35 K. A maximum baseline of 20 meters gives a nominal resolution of 26 mas at 5 microns. Using a Fizeau beam combination technique, a simple focal plane camera could be used to obtain both Fourier and spectral data simultaneously for a given orientation of the array. The spacecraft will be rotated to give sufficient Fourier data to reconstruct complex images of a broad range of astrophysical sources.

Danchi, W. C.↗

NASA NTRS2003

The Fourier-Kelvin Stellar Interferometer (FKSI): A Discovery Class TPF/DARWIN Pathfinder Mission Concept

The Fourier-Kelvin Stellar Interferometer (FKSI) is a mission concept for an imaging and nulling interferometer for the mid-infrared spectral region (5-30 microns). FKSI is conceived as a scientific and technological pathfinder to TPF/DARWIN as well as SPIRIT, SPECS, and SAFIR. It will also be a high angular resolution system complementary to NGST. The scientific emphasis of the mission is on the evolution of protostellar systems, from just after the collapse of the precursor molecular cloud core, through the formation of the disk surrounding the protostar, the formation of planets in the disk, and eventual dispersal of the disk material. FKSI will also search for brown dwarfs and Jupiter mass and smaller planets, and could also play a very powerful role in the investigation of the structure of active galactic nuclei and extra-galactic star formation. We have been studying alternative interferometer architectures and beam combination techniques, and evaluating the relevant science and technology tradeoffs. Some of the technical challenges include the development of the cryocooler systems necessary for the telescopes and focal plane array, light and stiff but well-damped truss systems to support the telescopes, and lightweight and coolable optical telescopes. We present results of detailed design studies of the FKSI starting with a design consisting of five one meter diameter telescopes arranged along a truss structure in a linear non-redundant array, cooled to 35 K. A maximum baseline of 20 meters gives a nominal resolution of 26 mas at 5 microns. Using a Fizeau beam combination technique, a simple focal plane camera could be used to obtain both Fourier and spectral data simultaneously for a given orientation of the array. The spacecraft will be rotated to give sufficient Fourier data to reconstruct complex images of a broad range of astrophysical sources. Alternative and simpler three and two telescope designs emphasizing nulling and spectroscopy also have been investigated and will be discussed.

Danchi, W. C.↗

NASA NTRS2005

The Fourier-Kelvin Stellar Interferometer (FKSI): A Progress Report and Preliminary Results from Our Laboratory Testbed

The Fourier-Kelvin Stellar Interferometer (FKSI) is a mission concept for an imaging and nulling interferometer for the near-infrared to mid-infrared spectral region (3-8 microns). FKSI is conceived as a scientific and technological pathfinder to TPF/DARWIN as well as SPIRIT, SPECS, and SAFIR. It will also be a high angular resolution system complementary to JWST. The scientific emphasis of the mission is on the evolution of protostellar systems, from just after the collapse of the precursor molecular cloud core, through the formation of the disk surrounding the protostar, the formation of planets in the disk, and eventual dispersal of the disk material. FKSI will also search for brown dwarfs and Jupiter mass and smaller planets, and could also play a very powerful role in the investigation of the structure of active galactic nuclei and extra-galactic star formation. We report additional studies of the imaging capabilities of the FKSI with various configurations of two to five telescopes, studies of the capabilities of FKSI assuming an increase in long wavelength response to 10 or 12 microns (depending on availability of detectors), and preliminary results from our nulling testbed.

Berry, Richard↗

NASA NTRS2004

Collisional and Dynamical Evolution of Planetary Systems

Senior Scientst S. J. Weidenschilling presents his final administrative report in the research program entitled "Collisional and Dynamical Evolution of Planetary Systems," on which he was the Principal Investigator. This research program produced the following publications: 1) "Jumping Jupiters" in binary star systems. F. Marzari, S. J. Weidenschilling, M. Barbieri and V. Granata. Astrophys. J., in press, 2005; 2) Formation of the cores of the outer planets. To appear in "The Outer Planets" (R. Kallenbach, ED), ISSI Conference Proceedings (Space Sci. Rev.), in press, 2005; 3) Accretion dynamics and timescales: Relation to chondrites. S. J. Weidenschilling and J. Cuzzi. In Meteorites and the Early Solar System LI (D. Lauretta et al., Eds.), Univ. of Arizona Press, 2005; 4) Asteroidal heating and thermal stratification of the asteroid belt. A. Ghosh, S. J.Weidenschilling, H. Y. McSween, Jr. and A. Rubin. In Meteorites and the Early Solar System I1 (D. Lauretta et al., Eds.), Univ. of Arizona Press, 2005.

Weidenschilling, Stuart J.↗

NASA NTRS2010

Interstellar Magnetic Fields and Polarimetry of Dust Emission

Magnetic fields are an important ingredient in the stormy cosmos. Magnetic fields: (1) are intimately involved with winds from Active Galactic Nuclei (AGN) and stars (2) create at least some of the structures observed in the ISM (3) modulate the formation of clouds, cores, and stars within a turbulent medium (4) may be dynamically important in protostellar accretion disks (5) smooth weak shocks (C-shocks).

stormy cosmos↗

NASA NTRS2017

PHYS: Division of Physical Chemistry 258 - Properties and Origins of Cometary and Asteroidal Organic Matter Delivered to the Early Earth

Comets and asteroids may have contributed much of the Earth's water and organic matter. The Earth accretes approximately 4x10(exp 7) Kg of dust and meteorites from these sources every year. The least altered meteorites contain complex assemblages of organic compounds and abundant hydrated minerals. These carbonaceous chondrite meteorites probably derive from asteroids that underwent hydrothermal processing within the first few million years after their accretion. Meteorite organics show isotopic and chemical signatures of low-T ion-molecule and grain-surface chemistry and photolysis of icy grains that occurred in cold molecular clouds and the outer protoplanetary disk. These signatures have been overprinted by aqueously mediated chemistry in asteroid parent bodies, forming amino acids and other prebiotic molecules. Comets are much richer in organic matter but it is less well characterized. Comet dust collected in the stratosphere shows larger H and N isotopic anomalies than most meteorites, suggesting better preservation of primordial organics. Rosetta studies of comet 67P coma dust find complex organic matter that may be related to the macromolecular material that dominates the organic inventory of primitive meteorites. The exogenous organic material accreting on Earth throughout its history is made up of thousands of molecular species formed in diverse processes ranging from circumstellar outflows to chemistry at near absolute zero in dark cloud cores and the formative environment within minor planets. NASA and JAXA are currently flying sample return missions to primitive, potentially organic-rich asteroids. The OSIRIS-REx and Hayabusa2 missions will map their target asteroids, Bennu and Ryugu, in detail and return regolith samples to Earth. Laboratory analyses of these pristine asteroid samples will provide unprecedented views of asteroidal organic matter relatively free of terrestrial contamination within well determined geological context. Studies of extraterrestrial materials and returned samples are essential to understand the origins of Solar System organic material and the roles of comets and asteroids to providing the starting materials for the emergence of life.

Messenger, Scott↗

NASA NTRSDate not supplied

Silicon Partitioning Between Iron-Rich Metal and Silicate Melt: New Constraints From Aerodynamic Laser Levitation Furnace Experiments

The partitioning of light elements (e.g., Si, C, H, etc.) between silicate melts and iron metal alloys as a function of pressure and temperature is a critical constraint in defining the compositional evolution of planetary interiors. While there are a significant number of experimental studies in the literature that examine the various influences of oxygen fugacity, temperature, pressure, and composition on the metal-melt partitioning of silicon, it is difficult to disentangle the effects of each variable due to the nominally independent parameters (e.g., pressure, temperature, composition) being collinear. To better test for the independent effects of pressure, temperature, and melt composition on the partitioning of silicon between iron alloy and silicate melt, new high temperature (1800°–2500°C), rapid quench (~700°C/s) aerodynamic levitation laser-heating experiments in the Fe-Si-Mg-O (En65-Fa5-Si3-Fe27) system were conducted. This high temperature, low pressure method is ideal for these experiments because it eliminates the metal container as a sink for elements of interest to partition into, and it has a rapid quench rate that minimizes potential exsolution of silicon from the metal phase during quench cooling. Given the short run times of the levitation experiments (30–60 seconds), a time series at a lower temperature (1700°C) in a vertical gas-mixing muffle tube furnace was also conducted to assess equilibrium times of the bulk composition. All successful runs were imaged using back-scatter electron imaging and analyzed for phase composition using a JEOL 8530F field emission microprobe. These new data were added to a comprehensive and internally consistent data set created from published experiments, and subsequently modeled using parameters designed to minimize collinearity (e.g., optical basicity is used as a proxy for melt composition). High collinearity is found in the data set however between temperature and oxygen fugacity, precluding any model that contains both as nominally independent variables. The resulting model demonstrates a statistically significant effect of pressure, temperature, and melt composition on the partitioning of silicon in Fe-rich metal, which has implications for the formation of planetary cores in rocky planets and provides important constraints on potential bulk core compositions.

Metal↗

DOE OSTI2020

Lithium battery cathode

A novel lithium battery cathode, a lithium ion battery using the same and processes and preparation thereof are disclosed. The battery cathode is formed by force spinning. Fiber spinning allows for the formation of core-shell materials using material chemistries that would be incompatible with prior spinning techniques. A fiber spinning apparatus for forming a coated fiber and a method of forming a coated fiber are also disclosed.

25 ENERGY STORAGE↗

DOE OSTI2023

Lithium battery cathode

Bell, Nelson S.↗

NASA NTRS1990

Evolution of magnetized, rotating, isothermal clouds

Molecular cloud cores, in which star formation process now proceeds, are often found with elongated shape. This suggests that the core collapsed preferentially along the direction parallel to the global magnetic field and/or parallel to the cloud's initial angular momentum. Actually the magnetic field strength in the cloud has been measured recently with the Zeeman splitting (Goodman et al. 1989). The authors indicate the magnetic field of 10 to 30 mu G exists in the cloud. Further, the observation of polarization in the near IR from background stars shows that the magnetic field runs perpendicularly to the major axis of the cloud (Tamura et al. 1987). As for the angular momentum, the rotation rate of 0.2 to 6 kms s(exp -1) pc(exp -1) is reported (Goldsmith and Arquilla 1984) in 16 dark cloud regions. If the cloud collapses from the diffuse cloud with density n approx. 1 cm (exp -3) with strictly conserving the angular momentum which was shared from the galactic rotation, the rotation rate of the cloud will be x mega sub j = const approx. 3(n/1000 cm exp -3) exp 2/3 km s(exp -1) pc (exp -1) (Mouschovias 1987). The evolution of the rotating magnetized cloud is discussed here.

Tomisaka, Kohji↗

DOE OSTI2025

Enhancing the accuracy of XPS calculations: Exploring hybrid basis set schemes for CVS-EOMIP-CCSD calculations

Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between numerical accuracy and computational cost due to the size of the basis set is a major challenge, since molecular orbitals undergo extreme relaxation in the core-hole state. To gain clarity on the changes in electronic structure induced by the formation of a core-hole, the use of sufficiently flexible basis for expanding the orbitals, particularly for the core region, has been shown to be essential. This work focuses on the refinement of core-hole ionized state calculations using the equation-of-motion coupled cluster family of methods through an extensive analysis on the effectiveness of “hybrid” and mixed basis sets. In this investigation, we utilize the CVS-EOMIP-CCSD method in combination and construct hybrid basis sets piecewise from readily available Dunning’s correlation consistent basis sets in order to calculate x-ray ionization energies (IEs) for a set of small gas phase molecules. Our results provide insights into the impact of basis sets on the CVS-EOMIP-CCSD calculations of K-edge IEs of first-row p-block elements. Furthermore, these insights enable us to understand more about the basis set dependence of the core IEs computed and allow us to establish a protocol for deriving reliable and cost-effective theoretical estimates for computing IEs of small molecules containing such elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Computed Tomography Scanning and Geophysical Measurements of the Patterson #5-25 Well in Western Kansas

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) site in Morgantown, West Virginia, were used to characterize core from the Patterson Field site. This core came from a vertical well (Patterson #5-25 well) that was obtained as part of the U.S. Department of Energy (DOE) sponsored Integrated Midcontinental Stacked Carbon Storage Hub. The primary impetus of this work is a collaboration between NETL and the Kansas Geological Survey to characterize core from the Patterson Field site. The 625 ft of whole core from the Atoka Formation to Precambrian Basement was characterized at NETL. As part of this effort, bulk scans of core were obtained. This report, and the associated scans, provide detailed datasets not typically made publicly available for carbon capture utilization and storage analysis. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/patterson-5-25-well. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. None of the equipment used was suitable for direct visualization of the shale pore space, although fractures and discontinuities were detectable with the methods tested. Low resolution CT imagery with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with x-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL are useful in identifying zones of interest for more detailed analysis as well as fractured zones. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provided a multi-scale analysis of this core and provided both a macro and micro description of the core that is relevant for many subsurface energy related examinations that have traditionally been performed at NETL.

58 GEOSCIENCES↗

DOE OSTI2023

SPRUCE Peat Mercury, Methylmercury and Sulfur Concentrations from Experimental Plot Cores, 2012

This data set reports the results of analyses of peat core samples for total mercury and methylmercury, as well as carbon, nitrogen and sulfur. Samples were collected as part of a larger sampling campaign from the SPRUCE experimental study plots located in the S1-Bog. From 2012-08-13 to 2012-10-15, a team of SPRUCE investigators and collaborators collected core samples of peat in the SPRUCE experimental plots. The goal was to characterize the biological, physical, and chemical characteristics of peat, and how those characteristics changed throughout the depth profile of the bog, prior to the initialization of the SPRUCE experimental warming and CO2 treatments. Cores were collected from 16 experimental plots; peat cores were collected from the hummock and hollow surfaces to depths of 300 cm in 10 cm, 25, and 50 cm increments (Pierce et al, 2022). Three replicate cores were collected from both hummock and hollow locations in each plot. The coring locations within each plot were mapped. This dataset contains one file in comma separated (*.csv) format. User Note: The coring descriptions and some reported data are the same as in the related data set, Iverson et al. (2014). Samples for mercury and carbon, nitrogen and sulfur analyses by the University of Minnesota were collected as part of this sampling campaign.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

VERA User's Guide for Ex-core Applications

The Virtual Environment for Reactor Applications, or VERA, allows users to set up models to calculate time-dependent and fully coupled solutions for ex-core quantities of interest such as vessel and coupon fluence, and detector responses for multiple statepoints and cycles. MPACT and COBRA-TF together perform in-core transport calculations with temperature feedback while Shift performs the fluence and detector response calculations in the ex-core region. The in-core region is modeled using VERA’s native input format and the ex-core region is defined using Shift’s general geometry package, also known as Omnibus General Geometry. Fixed source ex-core calculations with Shift can be run in forward mode without advanced variance reduction (VR) methods, or with Consistent Adjoint Driven Importance Sampling (CADIS), which is an automated VR method. This document serves as a guide for setting up inputs, running ex-core calculations and post-processing the results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Distinct Fracture Mineralogy That is Out of Equilibrium With Modern Groundwaters Provides Important Context for Subsurface Life

Rock fracture surfaces in the crust are essential habitat for microorganisms. Fracture‐groundwater interfaces provide physical substrates for biofilm growth and are sources of carbon, nutrients, and electron donors and acceptors. To better understand geochemical processes impacting fracture surfaces and the subsurface microbiome, we identified fractures in archived rock cores from the Soudan formation, which is known to host saline groundwaters and isolated microbial communities dependent on rock‐water interactions. Cores with open fractures were thin sectioned and studied via electron microprobe and synchrotron X‐ray fluorescence microprobe. Most fracture surfaces had mineralogy distinct from that of the bulk rock. Chlorite minerals were abundant on fracture surfaces and had elemental compositions suggesting deposition during late‐stage hydrothermal alteration. Fracture‐lining chlorites likely limit access to iron oxide and sulfide minerals that are active in subsurface biogeochemical cycles. Calcium‐rich rinds were also observed along fracture edges. These rinds were too thin and poorly ordered to be identified via light microscopy or X‐ray diffraction; however, Ca K‐edge micro‐X‐ray absorption near‐edge structure spectroscopy identified them as carbonates, minerals not observed in the bulk rock. Thermodynamic modeling shows that carbonate precipitation is largely unfavorable in Soudan groundwaters, indicating that fracture edge conditions differed from those in modern water samples. Because of the low carbon concentrations in Soudan groundwaters, carbonate rinds likely play an important role in subsurface carbon cycling and may mark fracture surfaces that once hosted biofilms. Overall, this study suggests that fracture alteration can both play an active role in and suppress rock‐water interactions essential to subsurface life.

36 MATERIALS SCIENCE↗