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NASA NTRS2010

Kepler Science Operations Center Pipeline Framework

The Kepler mission is designed to continuously monitor up to 170,000 stars at a 30 minute cadence for 3.5 years searching for Earth-size planets. The data are processed at the Science Operations Center (SOC) at NASA Ames Research Center. Because of the large volume of data and the memory and CPU-intensive nature of the analysis, significant computing hardware is required. We have developed generic pipeline framework software that is used to distribute and synchronize the processing across a cluster of CPUs and to manage the resulting products. The framework is written in Java and is therefore platform-independent, and scales from a single, standalone workstation (for development and research on small data sets) to a full cluster of homogeneous or heterogeneous hardware with minimal configuration changes. A plug-in architecture provides customized control of the unit of work without the need to modify the framework itself. Distributed transaction services provide for atomic storage of pipeline products for a unit of work across a relational database and the custom Kepler DB. Generic parameter management and data accountability services are provided to record the parameter values, software versions, and other meta-data used for each pipeline execution. A graphical console allows for the configuration, execution, and monitoring of pipelines. An alert and metrics subsystem is used to monitor the health and performance of the pipeline. The framework was developed for the Kepler project based on Kepler requirements, but the framework itself is generic and could be used for a variety of applications where these features are needed.

Klaus, Todd C.↗

DOE OSTI2025

Effects of HCP/BCC element ratios on the room-temperature tensile properties of Ti-Zr-Hf-Nb-Ta refractory high-entropy alloys

Equiatomic and non-equiatomic Ti-Zr-Hf-Nb-Ta refractory high-entropy alloys (RHEAs) were arc melted, homogenized, cold rolled, and recrystallized to produce single-phase, body-centered cubic (BCC), microstructures with weak texture and equiaxed grains 76–199 μm in size. Here, the non-equiatomic alloys had either a 60:40 or 80:20 atomic ratio of hexagonal close-packed (HCP) elements (Ti + Zr + Hf) to BCC elements (Nb + Ta). Alloy compositions were measured after thermomechanical processing to determine the concentrations of the major (substitutional) and minor (interstitial) elements. We investigated how elastic constants and uniaxial tensile properties were affected by changes in the relative concentrations of the constituent elements at fixed HCP:BCC ratios. Yield strengths ranged from 801 to 922 MPa and ultimate tensile strengths from 815 to 933 MPa. Good agreement is obtained between the experimental yield strengths and those predicted by a strength theory based on edge dislocations indicating that the observed compositional effects are due to their effects on shear modulus and volume misfit. Fracture occurred by dimpled rupture with fracture strains of 19.4%–25.7%, but uniform strains were an order of magnitude lower at 1.1%–3.2%, calling into question the useable ductility (prior to necking) of RHEAs considered to be ductile based on their fracture strain. Contrary to predictions in the literature that HCP elements promote ductility, our present results show that increasing the HCP:BCC ratio decreases both the total strain and the uniform strain. Similar trends were not evident in the yield or ultimate strengths; rather, strengths were affected mainly by shear modulus and volume misfit.

BCC high-entropy alloys↗

DOE OSTI2023

Decoding Zeolite Crystallization and Stage III in Nuclear Waste Glasses by Coupled Modeling and Experiments

Under specific conditions of pH and temperature, nuclear waste immobilization borosilicate glasses may exhibit a sudden acceleration in their corrosion kinetics (stage III)—a behavior that has been associated with the formation of zeolite crystals. Such accelerated dissolution may compromise the integrity of nuclear wasteforms placed in geological depositories. However, thus far, none of the available models is able to predict the thermodynamic propensity and kinetics of zeolite precipitation as a function of the solution conditions due to (i) a lack of fundamental knowledge regarding the nucleation & growth mechanisms of zeolitic phases, (ii) uncertainty regarding the compositions (types) of zeolites that may form and the rate-limiting step in their precipitation as a function of the solution conditions, and (iii) the complexities that arise due to the vast parametric space (i.e., solution chemistry, temperature, number of secondary phases, etc.) that encompass these systems under conditions of environmental exposure. To resolve these challenges, this project aimed to unambiguously identify the thermodynamic propensity for zeolite precipitation and the kinetics thereof as a function of the solution conditions (composition, pH, and temperature). To achieve this goal: 1) We identified the solution conditions and zeolite phases relevant to nuclear glass dissolution. 2) We performed a series of ab initio molecular dynamics (AIMD) simulations to compute the thermodynamic properties of a group of characteristic zeolites that features a large range of compositions, various hydration levels, a wide range of framework structures, and partial atomic site occupancies. 3) We released a first-of-a-kind self-consistent thermodynamic database that can be used to assess the kinetics and the stability fields of zeolitic phases within a Gibbs energy minimization (GEM) framework. 4) We developed a robust geochemical modeling method allowing us to predict the stability of secondary phases (including zeolites, calcium–silicate–hydrate gels, and clays) upon the dissolution of nuclear waste immobilization glasses. 5) We introduced a model that predicts the dissolution kinetics of a series of borosilicate nuclear waste immobilization glasses in terms of the topology of their atomic network. 6) We investigated the roles of the solution composition on the crystallization kinetics of phillipsite zeolites and tobermorite silicate hydrates. Via PNNL’s collaboration and engagement, this project directly supports DOE’s nuclear waste immobilization activities by offering a technical, science-based foundation that will (i) facilitate predictions of the long-term corrosion rates and extents of existing nuclear waste immobilization glasses to help ensure safe and successful vitrification operations, (ii) inform the development of advanced glass formulations with enhanced durability, and, (iii) enable cost-savings that result from making more decisive and hence less conservative predictions while offering higher levels of nuclear waste embedment in smaller, more compact glass volumes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2010

Altitude Variation of the CO2 (V2)-O Quenching Rate Coefficient in Mesosphere and Lower Thermosphere

Among the processes governing the energy balance in the mesosphere and lower thermosphere (mlt), the quenching of CO2(N2) vibrational levels by collisions with oxygen atoms plays an important role. However, the k(CO2-O) values measured in the lab and retrieved from atmospheric measurements vary from 1.5 x 10(exp -12) cubic centimeters per second through 9.0 x 10(exp -12) cubic centimeters per second that requires further studying. In this work we used synergistic data from a ground based lidar and a satellite infrared radiometer to estimate K(CO2-O). We used the night- and daytime temperatures between 80 and 110 km measured by the colorado state university narrow-band sodium (Na) lidar located at fort collins, colorado (41N, 255E) as ground truth of the saber/timed nearly simultaneous (plus or minus 10 minutes) and common volume (within plus or minus 1 degree in latitude, plus or minus 2 degrees in longitude) observations. For each altitude in 80-110 km interval we estimate an "optimal" value of K(CO2-O) needed to minimize the discrepancy between the simulated 15 mm CO2 radiance and that measured by the saber/timed instrument. The K(CO2-O) obtained in this way varies in altitude from 3.5 x 10(exp -12) cubic centimeters per second at 80 km to 5.2 x 10(exp -12) cubic centimeters pers second for altitudes above 95 km. We discuss this variation of the rate constant and its impact on temperature retrievals from 15 mm radiance measurements and on the energy budget of mlt.

Feofilovi, Artem↗

DOE OSTI2022

KATRIN background due to surface radioimpurities

The goal of the KArlsruhe TRItrium Neutrino (KATRIN) experiment is the determination of the effective electron antineutrino mass with a sensitivity of 0.2 eV/c 2 at 90 % C.L. 1 . This goal can only be achieved with a very low background level in the order of 10 mcps 2 in the detector region of interest. A possible background source are α-decays on the inner surface of the KATRIN Main Spectrometer. Rydberg atoms, produced in sputtering processes accompanying the α-decays, are not influenced by electric or magnetic fields and freely propagate inside the vacuum of the Main Spectrometer. Here, they can be ionized by thermal radiation and the released electrons directly contribute to the KATRIN background. Two α-sources, 223 Ra and 228 Th, were installed at the Main Spectrometer with the purpose of temporarily increasing the background in order to study α-decay induced background processes. In this paper, we present a possible background generation mechanism and measurements performed with these two radioactive sources. Our results show a clear correlation between α-activity on the inner spectrometer surface and background from the volume of the spectrometer. Two key characteristics of the Main Spectrometer background – the dependency on the inner electrode offset potential, and the radial distribution – could be reproduced with this artificially induced background. These findings indicate a high contribution of α-decay induced events to the residual KATRIN background.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Tritiated Sulfur Hexafluoride Disposition Strategies

Tritium (T 2 ) is a radioactive isotope of hydrogen that is produced in nuclear fission reactions and is often used in nuclear fusion reactions and accelerator-based applications for medical isotope production. As a hydrogen isotope, tritium can readily bind to hydroxyl radicals (OH), forming tritiated water (HTO or T 2 0), and to carbon atoms. Tritium decays to helium-3 ( 3 He) via beta-decay with max decay energy of 18.6 keV. While it is not an external radiation hazard, it can be an internal radiation hazard if tritium is inhaled, ingested, or absorbed through the skin. In applications where tritium is handled, tritium confinement is performed using different barriers to minimize releases to the environment. For gaseous (elemental), liquid (oxide), and metal (hydride) tritium, process piping and components provide the primary confinement function. Secondary tritium confinement is typically provided by inert (i.e. non-flammable gases such as nitrogen, argon, or helium) gloveboxes which are connected to a tritium stripper system. Primary tritium confinement barriers typically produce low volumes of high tritium concentrations of tritiated methane from carbon in steels or organic materials along with tritiated water/tritium oxide (e.g. HTO) and tritiated ammonia from reactions with oxygen and nitrogen. Tritium escaping primary confinement into secondary confinement atmospheres (e.g. gloveboxes) produce higher volumes of lower activity contamination than found in process piping. Tritium contamination also occurs by leaks or tritium permeation/diffusion through confinement materials. Tritium from inside primary confinement barriers will diffuse or leak out of the primary confinement barrier and usually into the air, if the system is inside an air hood or ventilated hot cell, or into the secondary confinement (e.g. glovebox) atmosphere which is either exhausted or stripped based on the function of the secondary confinement (glovebox) system. Accelerator based processes for medical isotope production represent an atypical tritium contamination challenge. In medical isotope production, deuterium supply gas is ionized and accelerated to a tritium gas target to produce neutrons that are then used to produce the medical isotopes through additional nuclear fission reactions. To create large voltage differentials for accelerator operations, an electrical insulation medium is needed to prevent or rapidly quench electric discharges. A common electrical insulation medium utilized in accelerator applications is sulfur hexafluoride (SF 6 ) gas. SF 6 has a high dielectric strength and allows for the construction of smaller accelerator systems compared to other electrical insulation mediums such as air or dry nitrogen. Due to tritium permeation/diffusion through accelerator process and confinement materials, there is the possibility that tritium can contaminate the electrical insulation medium of the accelerator. Tritium contaminated SF 6 creates a material without any obvious processes for managing the contamination, reuse, or disposal of the used SF 6 . This document will discuss possible management strategies for tritium contaminated SF 6 for accelerator-based processes for Molybdenum-99 (Mo-99) production.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2024

Density of molten oxides measured in an aero-acoustic levitator

Knowing the thermophysical properties of high-temperature melts can aid the design of melt processes and validate atomic structural models, such as those used in studying glass formation. Property measurements on such melts are challenging, however, due to container-related contamination and heterogeneous nucleation. Containerless processing techniques that employ levitation can be used to avoid these obstacles. In that context, we demonstrate here the application of silhouette imaging to measure the density of molten oxides in an aero-acoustic levitation instrument (AAL). The AAL combines gas jet levitation with actively controlled acoustic positioning to enable full optical access to samples ca. 2–4 mm in diameter, which are laser beam heated and melted. The cross sections of molten drops are imaged using a monochromatic light source and narrowband-filtered camera. Melt volume is calculated from the cross sections and used to find density at several temperatures ranging 1530–1920 K, including up to 350 K of supercooling. We report densities for CaAl 2 O 4 , Ca 12 Al 14 O 33 , CaSiO 3 , their Fe 2 O 3 -bearing analogs, and 83TiO 2 -17RE 2 O 3 (RE = La or Nd). These provide important benchmarks of the capabilities, measurement uncertainties, and future outlook for this technique.

36 MATERIALS SCIENCE↗

DOE OSTI2023

How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals

We propose and describe a framework to understand the structure of supramolecular network crystals formed in soft matter in terms of mesoatomic building blocks, collective groupings of amphiphilic molecules that play a role analogous to atomic or molecular subunits of hard matter crystals. While the concept of mesoatoms is intuitive and widely invoked in crystalline arrangements of spherelike or cylinderlike (micellelike) domains, analogous notions of natural and physically meaningful building blocks of triply periodic network (TPN) crystals, like the double-gyroid or double-diamond structures are obscured by the complex, bicontinuous domain shapes and intercatenated topologies of the double networks. Focusing on the specific example of diblock copolymer melts, we propose generic rules for decomposing TPN crystals into a unique set of mesoatomic building blocks. Based on physically motivated principles, the combination of symmetries and topologies of these structures point to mesoatomic elements associated with the nodal connections, leading to mesoatomic volumes that are nonconvex and bound by smoothly curved faces, unlike the more familiar Voronoi polyhedral shapes associated with spherelike and cylinderlike mesoatoms. We analyze the shapes of these mesoatoms, their internal structure, and importantly, their local packing with neighbor mesoatomic units. Importantly, we hypothesize that mesoatoms are kinetically favored intermediate structures whose local shapes and packing template network crystal assembly on long time scales. We propose and study a minimal energetic model of mesoatom assembly for three different cubic double-network crystals, based on local shape packing, which predicts a detailed picture for kinetics of intercatenation and surface growth. Based on these analyses, we discuss several possible extensions and elaborations of the mesoatomic description of supramolecular soft matter network crystals, most notably the implications of mesoatomic malleability, a feature that distinguishes soft matter from hard matter crystals. We describe experimental observations of malleable mesoatomic units in the precursor sponge phase as well as in ordered cubic networks and suggest possibilities for observing mesoatoms in primordial, precrystalline states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2019

Review of Habitable Softgoods Inflatable Design, Analysis, Testing, and Potential Space Applications

Inflatable space structures have the potential to significantly reduce the required launch volume of large crewed pressure vessels for space exploration missions. Mass savings can also be achieved via the use of high specific strength softgoods materials, and the reduced design penalty from launching the structure in a densely packaged state. Inflatable softgoods structures have been investigated since the late 1950's, and several major development programs at NASA and in industry have helped advance the state-of-the-art in this technology area. This paper discusses the design, analysis, structural testing, and potential applications for inflatable softgoods structures. In particular, this paper will discuss the design of the multi-layer softgoods shell (inner layer, bladder, structural restraint layer, micrometeoroid orbital debris protection layers, thermal insulation layers, and atomic oxygen layer (for low earth orbit) and the results of material and module-level testing that has been conducted over the past two decades at NASA. Finally, the current utilization of expandable spacecraft structures is discussed, as well as potential future applications including airlocks and habitats on the Lunar Orbital Platform-Gateway, and the surface of the Moon and Mars.

Valle, Gerard↗

DOE OSTI2021

The anion exchange properties of AFm (hydrocalumite-group) minerals defined from solubility experiments and crystallographic information

Solubility experiments with binary series of OH-, Cl-, SO{sub 4}- and CO{sub 3}-AFm were re-examined with a non-ideal, multicomponent solid solution model. The electrical double layer on the mineral's outer surface, which neutralizes about 5% of the anionic charge, can be included. The choice of the end-members in the solid solution and the reaction formulation can help to eliminate the ‘non-ideality’ for OH-SO{sub 4} and Cl-OH exchange. CO{sub 3}-Cl-OH exchange is not ideal in the solubility experiments, nor can it be, because the mineral volume is not a linear combination of the end-members. The solubilities of the end-members are related to the anion charge and inversely to the anion-layer thickness. OH is part of the anion-charge, even when a pure, other anion form is the target of the synthesis. Pure OH-AFm is unstable and converts into hydrogarnet and portlandite, depending on the precipitation rate of hydrogarnet.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Electronic Conductivity of Nanoporous Indium Oxide Derived from Sequential Infiltration Synthesis

Sequential infiltration synthesis (SIS) is a vapor phase synthetic method that enables the selective nucleation and growth of metal oxides within polymer volumes. The expanding palette of SIS materials and process designs enables tunability of the resulting material properties. We derive porous indium oxide thin films from the SIS of indium oxide using trimethyl indium and H 2 O 2 in polymethyl methacrylate films and observe the strong effect of SIS and post-deposition processing, which affords 7 orders of magnitude of tunability in electrical resistivity. While as-deposited hybrid nanocomposites show no measurable conductivity, high-temperature treatment in O 2 removes the polymer matrix and creates a porous nanocrystalline In 2 O 3 film with resistivities ranging from 10 3 to 10 5 Ω*cm, with lower resistivity correlated to larger grain sizes. Subsequent annealing in H 2 decreases the resistivity of films to less than 10 –2 Ω*cm. A clear correlation between increasing In 2 O 3 volume fraction, grain size, and carrier mobility is observed, which arises from increased percolation pathways, path length, and contact area in nanocrystalline In 2 O 3 films. Furthermore, this wide tunability demonstrates the importance of understanding growth mechanisms and processing conditions for functional materials development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Burning velocities of R-32/O 2 /N 2 mixtures: Experimental measurements and development of a validated detailed chemical kinetic model

This work entails characterizing the flammability of the refrigerant R-32 (CH 2 F 2 ) by both experimental measurements and modeling. Burning velocities S u were measured using a constant-volume spherical-flame method for R-32/O2/N 2 mixtures with O 2 /N 2 ratios ranging from 21% (synthetic air) to 40%, pressures of (1 to 3) bar, and equivalence ratios $\phi$ of (0.8 to 1.3). Based on a critical assessment of available data, and extended by our own calculations, a detailed chemical kinetic model was developed and key reactions determined using reaction path and sensitivity analyses. Initiation and combustion were identified as distinct kinetic regimes and burning velocities were found to be controlled by two primary reactions: unimolecular decomposition of CH 2 F 2 → CHF + HF and the subsequent reaction, CHF + O 2 → CHFO + O, the latter reaction initiating the radical chain propagating and branching by producing O atoms. Sensitive rate constants in the kinetic model were critically adjusted within their uncertainties and current knowledge bounds to best fit the experimental burning velocities. We found that rate constants in the model could be adjusted to match a given experimental S u for specific conditions (O 2 loading, P, T, $\phi$). This, however, then fixes predicted burning velocities for other all conditions within (3 to 4)% if physically realistic rate parameters are maintained. Thus, the entire set of experimental data is fit, not just to particular conditions. Relative random uncertainties in the experimental Su measurements were (4 to 6)%, but assumptions made for thermal radiation lost by the burned gas in the spherical-flame experiments add an additional systematic uncertainty. Systematic differences between the limiting cases of adiabatic (no thermal radiation lost) and optically-thin (all thermal radiation lost) varied significantly with conditions and ranged from (4 to 30)% at high to low velocities, respectively, translating into uncertainties of (2 to 15)% considering the average of two limiting cases. Comparison of experimental and kinetically modeled Su values suggests that the burned gas tends towards the optically-thin limit at the lowest pressures and fuel loadings and toward the adiabatic limit at the highest pressures and loadings. We tested and found support for this conclusion with a detailed analysis as a function of all the conditions (T, P, % O 2 , $\phi$). This behavior appears to transition from optically-thin to adiabatic as the density of the initial fuel increases, which results in increased CO 2 in the burned gas and thus increased absorption of the thermal radiation (consistent with the Beer-Lambert Law). The validated detailed model based on evaluated kinetics is shown to accurately predict burning velocities for R-32 O 2 /N 2 mixtures over a wide range of conditions and provides a reliable basis for extrapolation to other conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2013

Compact Termination for Structural Soft-goods

Glass fiber is unique in its ability to withstand atomic oxygen and ultraviolet radiation in-space environments. However, glass fiber is also difficult to terminate by traditional methods without decreasing its strength significantly. Glass fiber products are especially sensitive to bend radius, and do not work very well with traditional 'sewn loop on pin' type connections. As with most composites, getting applied loads from a metallic structure into the webbing without stress concentrations is the key to a successful design. A potted end termination has been shown in some preliminary work to out-perform traditional termination methods. It was proposed to conduct a series of tensile tests on structural webbing or cord to determine the optimum potting geometry, and to then be able to estimate a weight and volume savings over traditional sewn-overa- pin connections. During the course of the investigation into potted end terminations for glass fiber webbing, a new and innovative connection was developed that has lower weight, reduced fabrication time, and superior thermal tolerance over the metallic end terminations that were to be optimized in the original proposal. This end termination essentially transitions the flexible glass fiber webbing into a rigid fiberglass termination, which can be bolted/fastened with traditional methods

Wilkes, Robert, Jr.↗

DOE OSTI2020

A Catalog of Holes and Shells in the Interstellar Medium of the LITTLE THINGS Dwarf Galaxies

We present a catalog of holes and shells in the neutral atomic hydrogen (H i) of 41 gas-rich dwarf galaxies in LITTLE THINGS (Local Irregulars That Trace Luminosity Extremes, The H i Nearby Galaxy Survey). We analyzed their properties as part of an investigation into the relation between star formation and structures and kinematics in the H i of small galaxies. We confirmed 306 holes between 38 pc (our resolution limit) and 2.3 kpc, with expansion velocities up to 30 km s{sup −1}. The global star formation rates (SFRs) measured by Hα and far-UV (FUV) emission are consistent with those estimated from the energy required to create the cataloged holes in our sample. Although we found no obvious correlation between global SFRs and the H i surface and volume porosities of our sample, two of the four galaxies with the lowest porosity and the two galaxies with the highest porosity have no recent star formation as measured by Hα and FUV emission.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Development of Stochastic Voronoi Lattice Structures via Two-Photon Polymerization

Low-density polymer foams of varying sizes, shapes, and densities are of specific interest to the inertial confinement fusion (ICF) program and related high-energy density plasma physics research. Historically, these foams are comprised of polystyrene or other low atomic number materials and have densities in the 30 to 300 mg/cm 3 range. However, at the lower end of this density range, these traditional polymer foams become fragile and difficult to cast and machine into the geometries needed. Recently, the need by experimentalists for materials with densities below 30 mg/cm 3 has increased. To address these needs, we are developing three-dimensional (3-D) printing techniques to create high-precision, low-density, and repeatable complex lattice structures. Using two-photon polymerization 3-D printing, we recently developed the first 5 mg/cm3 low-density lattice structure having an annular hemispherical shape. These microscale to mesoscale structures were modeled and designed using the nTopology software, specifically utilizing the "Voronoi volume lattice" and "random points in body" option blocks. All printing operations were performed using the Nanoscribe Photonic Professional GT instrument. Characterization of these 3-D structures was conducted using various microscopic and X-ray tomographic imaging techniques. Furthermore, overall printed part sizes ranged from 1 to 5 mm in diameter and were composed of lattice ligaments having thicknesses in the 3- to 5-µm range. These structures have been incorporated into ICF targets recently shot on both the University of Rochester’s Laboratory of Laser Energetics Omega laser and the National Ignition Facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗

NASA NTRS1999

Experimental Study of Unsupported Nonane fuel Droplet Combustion in Microgravity

Soot formation in droplet flames is the basic component of the particulate emission process that occurs in spray combustion. The complexity of soot formation motivates a one-dimensional transport condition which has obvious advantages in modeling. Recent models of spherically symmetric droplet combustion have made this assumption when incorporating such aspects as detailed chemistry and radiation. Interestingly, spherical symmetry does not necessarily restrict the results because it has been observed that the properties of carbon formed in flames are not strongly affected by the nature of the fuel or flaming configuration. What is affected, however, are the forces acting on the soot aggregates and where they are trapped by a balance of drag and thermophoretic forces. The distribution of these forces depends on the transport conditions of the flame. Prior studies of spherical droplet flames have examined the droplet burning history of alkanes, alcohols and aromatics. Data are typically the evolution of droplet, flame, extinction, and soot shell diameters. These data are only now just beginning to find their way into comprehensive numerical models of droplet combustion to test proposed oxidation schemes for fuels such as methanol and heptane. In the present study, we report new measurements on the burning history of unsupported nonane droplets in a convection-free environment to promote spherical symmetry. The far-field gas is atmospheric pressure air at room temperature. The evolution of droplet diameter was measured using high speed cine photography of a spark-ignited, droplet within a confined volume in a drop tower. The initial droplet diameters varied between 0.5 mm and 0.6 mm. The challenge of unsupported droplets is to form, deploy and ignite them with minimal disturbance, and then to keep them in the camera field of view. Because of the difficulty of this undertaking, more sophisticated diagnostics for studying soot than photographic were not used. Supporting the test droplet by a fiber fixes the droplet position but the fiber can perturb the burning process especially for a sooting fuel. Prior studies on heptane showed little evidence for soot formation due to g-droplets of similar size the relationship between sooting and droplet diameter. For nonane droplets we expect increased sooting due to the greater number of carbon atoms. As a sooting droplet burns and its diameter decreases, proportionally less soot should form. This reduced soot, as well as the influence of soot formed earlier in the burning process which collects in a 'shell', on heat transport to the flame offers the potential for a time-varying burning rate. Such an effect was investigated and revealed in results reported here. Speculation is offered for the cause of this effect and its possible relation to soot formation.

Callahan, B. J.↗

NASA NTRS2000

Soot Oxidation in Laminar Hydrocarbon/Air Diffusion Flames at Atmospheric Pressure

Soot oxidation was studied experimentally in laminar hydrocarbon/air diffusion flames at atmospheric pressure. Measurements were carried out along the axes of round jets burning in coflowing air considering acetylene, ethylene, proplyene and propane as fuels. Measurements were limited to the initial stages of soot oxidation (carbon consumption less than 70%) where soot oxidation mainly occurs at the surface of primary soot particles. The following properties were measured as a function of distance above the burner exit: soot concentrations by deconvoluted laser extinction, soot temperatures by deconvoluted multiline emission, soot structure by thermophoretic sampling and analysis using Transmission Electron Microscopy (TEM), concentrations of stable major gas species (N2, H2O, H2, 02, CO, CO2, CH4, C2H2, C2H4, C2H6, C3H6, and C3H8) by sampling and gas chromatography, concentrations of some radical species (H, OH, O) by the deconvoluted Li/LiOH atomic absorption technique and flow velocities by laser velocimetry. It was found that soot surface oxidation rates are not particularly affected by fuel type for laminar diffusion flames and are described reasonably well by the OH surface oxidation mechanism with a collision efficiency of 0.10, (standard deviation of 0.07) with no significant effect of fuel type in this behavior; these findings are in good agreement with the classical laminar premixed flame measurements of Neoh et al. Finally, direct rates of surface oxidation by O2 were small compared to OH oxidation for present conditions, based on estimated O2 oxidation rates due to Nagle and Strickland-Constable, because soot oxidation was completed near the flame sheet where O2 concentrations were less than 1.2% by volume.

Xu, F.↗