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At least 775 records · Page 43

Fundamental Studies of Crystal Growth of Microporous Materials

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (1) Nature of the molecular units responsible for the crystal nuclei formation; (2) Nature of the nuclei and nucleation process; (3) Growth process of the nuclei into crystal; (4) Morphological control and size of the resulting crystal; (5) Surface structure of the resulting crystals; (6) Transformation of frameworks into other frameworks or condensed structures. The NASA-funded research described in this report focuses to varying degrees on all of the above issues and has been described in several publications. Following is the presentation of the highlights of our current research program. The report is divided into five sections: (1) Fundamental aspects of the crystal growth process; (2) Morphological and Surface properties of crystals; (3) Crystal dissolution and transformations; (4) Modeling of Crystal Growth; (5) Relevant Microgravity Experiments.

Dutta, P.↗

Local Synthesis and Tooth Contact Analysis of Face-Milled Spiral Bevel Gears

Computerized simulation of meshing and bearing contact for spiral bevel gears and hypoid gears is a significant achievement that could substantially improve the technology and the quality of the gears. An approach to the synthesis of face-milled spiral bevel gears and their tooth contact analysis is presented. The proposed approach is based on the following ideas: application of the principle of local synthesis that provides optimal conditions of meshing and contact at the mean contact point, M, and in the neighborhood of M; and application of relations between principle directions and curvatures for surfaces being in line contact or in point contact. The developed local synthesis of gears provides the following: (1) the required gear ratio at M; (2) a localized bearing contact with the desired direction of the tangent to the contact path on gear tooth surface and the desired length of the major axis of contact ellipse at M; (3) a predesigned parabolic function of a controlled level for transmission errors which enables absorption of linear functions of transmission errors caused by misalignment and reduces the level of vibrations. The proposed approach does not require either the tilt of the head-cutter for the process of generation or modified roll for the pinion generation. Improved conditions of meshing and contact of the gears can be achieved without the above mentioned parameters. A computer program for determination of basic machine-tool settings and tooth contact analysis for the designed gears is presented. The approach is illustrated with a numerical example.

Litvin, Faydor L.↗

Microwave Sounder for GEOS-R - A GeoSTAR Progress Report

The Geostationary Synthetic Thinned Aperture Radiometer (GeoSTAR) is a new concept for a microwave sounder, intended to be deployed on NOAA's next generation of geostationary weather satellites, GOES-R. A ground based prototype has been developed at the Jet Propulsion Laboratory, under NASA Instrument Incubator Program sponsorship, and is now undergoing tests and performance characterization. The initial space version of GeoSTAR will have performance characteristics equal to those of the AMSU system currently operating on polar orbiting environmental satellites, but subsequent versions will significantly outperform AMSU. In addition to all-weather temperature and humidity soundings, GeoSTAR will also provide continuous rain mapping, tropospheric wind profiling and real time storm tracking.

GOES↗

Materials science and manufacturing in space: The NBS program of ground based research

National Bereau of Standards work for NASA in support of NASA's Space Processing Program is described. The objectives of the NBS program are to perform ground-based studies of those aspects of space that could possibly provide a unique environment for making materials more perfect or more pure. The approach taken deals primarily with experimental and theoretical studies of the possible effects of the absence of gravitational forces on those materials preparation processes where the presence of gravity may be important in reducing perfection or purity. The materials preparation processes studied comprise 6 tasks in the areas of crystal growth, purification and chemical processing, and the preparation of composites. They are: (1) crystal perfection in Czochralski growth; (2) evaporative preparation of ultrahigh purity materials; (3) vacuum effects in the preparation of composite materials; (4) melt shape in weightless crystal growth; (5) vapor transport synthesis and crystal growth of oxides; and (6) surface traction and other surface phenomena.

Passaglia, E.↗

Sensitivity Analysis Applied to Atomic Data Used for X-ray Spectrum Synthesis

A great deal of work has been devoted to the accumulation of accurate quantities describing atomic processes for use in analysis of astrophysical spectra. But in many situations of interest the interpretation of a quantity which is observed, such as a line flux, depends on the results of a modeling- or spectrum synthesis code. The results of such a code depends in turn on many atomic rates or cross sections, and the sensitivity of the observable quantity on the various rates and cross sections may be non-linear and if so cannot easily be derived analytically. In such cases the most practical approach to understanding the sensitivity of observables to atomic cross sections is to perform numerical experiments, by calculating models with various rates perturbed by random (but known) factors. In addition, it is useful to compare the results of such experiments with some sample observations, in order to focus attention on the rates which are of the greatest relevance to real observations. In this paper I will present some attempts to carry out this program, focussing on two sample datasets taken with the Chandra HETG. I will discuss the sensitivity of synthetic spectra to atomic data affecting ionization balance, temperature, and line opacity or emissivity, and discuss the implications for the ultimate goal of inferring astrophysical parameters.

Kallman, Tim↗

Sensitivity Analysis Applied to Atomic Data Used for X-ray Spectrum Synthesis

A great deal of work has been devoted to the accumulation of accurate quantities describing atomic processes for use in analysis of astrophysical spectra. But in many situations of interest the interpretation of a quantity which is observed, such as a line flux, depends on the results of a modeling- or spectrum synthesis code. The results of such a code depends in turn 011 many atomic rates or cross sections, and the sensitivity of the observable quantity on the various rates and cross sections may be non-linear and if so cannot easily be derived analytically. In such cases the most practical approach to understanding the sensitivity of observables to atomic cross sections is to perform numerical experiments, by calculating models with various rates perturbed by random (but known) factors. In addition, it is useful to compare the results of such experiments with some sample observations, in order to focus attention on the rates which are of the greatest relevance to real observations. In this paper I will present some attempts to carry out this program, focussing on two sample datasets taken with the Chandra HETG. I will discuss the sensitivity of synthetic spectra to atomic data affecting ionization balance, temperature, and line opacity or emissivity, and discuss the implications for the ultimate goal of inferring astrophysical parameters.

Kallman, Tim↗

Testing Photoionization Calculations Using Chandra X-ray Spectra

A great deal of work has been devoted to the accumulation of accurate quantities describing atomic processes for use in analysis of astrophysical spectra. But in many situations of interest the interpretation of a quantity which is observed, such as a line flux, depends on the results of a modeling- or spectrum synthesis code. The results of such a code depends in turn on many atomic rates or cross sections, and the sensitivity of the observable quantity on the various rates and cross sections may be non-linear and if so cannot easily be derived analytically. In such cases the most practical approach to understanding the sensitivity of observables to atomic cross sections is to perform numerical experiments, by calculating models with various rates perturbed by random (but known) factors. In addition, it is useful to compare the results of such experiments with some sample observations, in order to focus attention on the rates which are of the greatest relevance to real observations. In this paper I will present some attempts to carry out this program, focussing on two sample datasets taken with the Chandra HETG. I will discuss the sensitivity of synthetic spectra to atomic data affecting ionization balance, temperature, and line opacity or emissivity, and discuss the implications for the ultimate goal of inferring astrophysical parameters.

Kallman, Tim↗

Parallel algorithms for placement and routing in VLSI design

The computational requirements for high quality synthesis, analysis, and verification of very large scale integration (VLSI) designs have rapidly increased with the fast growing complexity of these designs. Research in the past has focused on the development of heuristic algorithms, special purpose hardware accelerators, or parallel algorithms for the numerous design tasks to decrease the time required for solution. Two new parallel algorithms are proposed for two VLSI synthesis tasks, standard cell placement and global routing. The first algorithm, a parallel algorithm for global routing, uses hierarchical techniques to decompose the routing problem into independent routing subproblems that are solved in parallel. Results are then presented which compare the routing quality to the results of other published global routers and which evaluate the speedups attained. The second algorithm, a parallel algorithm for cell placement and global routing, hierarchically integrates a quadrisection placement algorithm, a bisection placement algorithm, and the previous global routing algorithm. Unique partitioning techniques are used to decompose the various stages of the algorithm into independent tasks which can be evaluated in parallel. Finally, results are presented which evaluate the various algorithm alternatives and compare the algorithm performance to other placement programs. Measurements are presented on the parallel speedups available.

Brouwer, Randall Jay↗

The Surface Chemistry of Methanol on TiO 2 (110): Effects of Pressure and Temperature on the Stability of C–O and C–H Bonds

Synchrotron-based ambient pressure X-ray photoelectron spectroscopy (AP-XPS) was used to study the surface chemistry of methanol on TiO 2 (110), examining the effects of methanol pressure, oxide temperature, and coadsorption with H 2 . At 300 K, the adsorption of methanol on TiO 2 (110) leads to the formation of CH 3 O on the surface with a minor amount of CH 3 OH present. The easy cleavage of the O–H bond in the alcohol agrees with the predictions of theoretical calculations, and most of the adsorbed CH 3 O was not associated with the presence of Ti 3+ sites in the oxide substrate. The adsorbed CH 3 O was removed from the TiO 2 (110) surface by heating to 600 K without the deposition of CH x fragments or C on the oxide. The results of temperature-programmed desorption (TPD) showed the evolution of methanol and formaldehyde at 360 and 490 K as a result of a disproportionation reaction: 2CH 3 O → CH 3 OH + CH 2 O. This surface chemistry, where there is no rupture of the C–O bond, and only selective cleavage of O–H and C–H bonds, is very different from that found on metals used in catalysts for methanol reforming, where massive conversion of the alcohol into CO, CH x and C species is seen. Furthermore, the TPD data indicate that any CH 3 O formed on the oxide surface can be hydrogenated and desorbed as CH 3 OH at temperatures below 550 K. In this respect, titania is an ideal support for catalysts employed to achieve methanol synthesis through CO 2 hydrogenation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving Conceptual Design for Launch Vehicles

This report summarizes activities performed during the second year of a three year cooperative agreement between NASA - Langley Research Center and Georgia Tech. Year 1 of the project resulted in the creation of a new Cost and Business Assessment Model (CABAM) for estimating the economic performance of advanced reusable launch vehicles including non-recurring costs, recurring costs, and revenue. The current year (second year) activities were focused on the evaluation of automated, collaborative design frameworks (computation architectures or computational frameworks) for automating the design process in advanced space vehicle design. Consistent with NASA's new thrust area in developing and understanding Intelligent Synthesis Environments (ISE), the goals of this year's research efforts were to develop and apply computer integration techniques and near-term computational frameworks for conducting advanced space vehicle design. NASA - Langley (VAB) has taken a lead role in developing a web-based computing architectures within which the designer can interact with disciplinary analysis tools through a flexible web interface. The advantages of this approach are, 1) flexible access to the designer interface through a simple web browser (e.g. Netscape Navigator), 2) ability to include existing 'legacy' codes, and 3) ability to include distributed analysis tools running on remote computers. To date, VAB's internal emphasis has been on developing this test system for the planetary entry mission under the joint Integrated Design System (IDS) program with NASA - Ames and JPL. Georgia Tech's complementary goals this year were to: 1) Examine an alternate 'custom' computational architecture for the three-discipline IDS planetary entry problem to assess the advantages and disadvantages relative to the web-based approach.and 2) Develop and examine a web-based interface and framework for a typical launch vehicle design problem.

John R. Olds↗

Inhibition of the eukaryotic initiation factor-2α kinase PERK decreases risk of autoimmune diabetes in mice

Preventing the onset of autoimmune type 1 diabetes (T1D) is feasible through pharmacological interventions that target molecular stress–responsive mechanisms. Cellular stresses, such as nutrient deficiency, viral infection, or unfolded proteins, trigger the integrated stress response (ISR), which curtails protein synthesis by phosphorylating eukaryotic translation initiation factor-2α (eIF2α). In T1D, maladaptive unfolded protein response (UPR) in insulin-producing β cells renders these cells susceptible to autoimmunity. We found that inhibition of the eIF2α kinase PKR-like ER kinase (PERK), a common component of the UPR and ISR, reversed the mRNA translation block in stressed human islets and delayed the onset of diabetes, reduced islet inflammation, and preserved β cell mass in T1D-susceptible mice. Single-cell RNA-Seq of islets from PERK-inhibited mice showed reductions in the UPR and PERK signaling pathways and alterations in antigen-processing and presentation pathways in β cells. Spatial proteomics of islets from these mice showed an increase in the immune checkpoint protein programmed death-ligand 1 (PD-L1) in β cells. Golgi membrane protein 1, whose levels increased following PERK inhibition in human islets and EndoC-βH1 human β cells, interacted with and stabilized PD-L1. Collectively, our studies show that PERK activity enhances β cell immunogenicity and that inhibition of PERK may offer a strategy for preventing or delaying the development of T1D.

Research & Experimental Medicine↗

Development of ADOCS controllers and control laws. Volume 2: Literature review and preliminary analysis

The Advanced Cockpit Controls/Advanced Flight Control System (ACC/AFCS) study was conducted by the Boeing Vertol Company as part of the Army's Advanced Digital/Optical Control System (ADOCS) program. Specifically, the ACC/AFCS investigation was aimed at developing the flight control laws for the ADOCS demonstrator aircraft which will provide satisfactory handling qualities for an attack helicopter mission. The three major elements of design considered are as follows: Pilot's integrated Side-Stick Controller (SSC) -- Number of axes controlled; force/displacement characteristics; ergonomic design. Stability and Control Augmentation System (SCAS)--Digital flight control laws for the various mission phases; SCAS mode switching logic. Pilot's Displays--For night/adverse weather conditions, the dynamics of the superimposed symbology presented to the pilot in a format similar to the Advanced Attack Helicopter (AAH) Pilot Night Vision System (PNVS) for each mission phase as a function of ACAS characteristics; display mode switching logic. Findings from the literature review and the analysis and synthesis of desired control laws are reported in Volume 2. Conclusions drawn from pilot rating data and commentary were used to formulate recommendations for the ADOCS demonstrator flight control system design. The ACC/AFCS simulation data also provide an extensive data base to aid the development of advanced flight control system design for future V/STOL aircraft.

Landis, Kenneth H.↗

An Operational Overview of the EXport Processes in the Ocean from RemoTe Sensing (EXPORTS) Northeast Pacific Field Deployment

The goal of the EXport Processes in the Ocean from RemoTe Sensing (EXPORTS) field campaign is to develop a predictive understanding of the export, fate, and carbon cycle impacts of global ocean net primary production. To accomplish this goal, observations of export flux pathways, plankton community composition, food web processes, and optical, physical, and biogeochemical (BGC) properties are needed over a range of ecosystem states. Here we introduce the first EXPORTS field deployment to Ocean Station Papa in the Northeast Pacific Ocean during summer of 2018, providing context for other papers in this special collection. The experiment was conducted with two ships: a Process Ship, focused on ecological rates, BGC fluxes, temporal changes in food web, and BGC and optical properties, that followed an instrumented Lagrangian float; and a Survey Ship that sampled BGC and optical properties in spatial patterns around the Process Ship. An array of autonomous underwater assets provided measurements over a range of spatial and temporal scales, and partnering programs and remote sensing observations provided additional observational context. The oceanographic setting was typical of late-summer conditions at Ocean Station Papa: a shallow mixed layer, strong vertical and weak horizontal gradients in hydrographic properties, sluggish sub-inertial currents, elevated macronutrient concentrations and low phytoplankton abundances. Although nutrient concentrations were consistent with previous observations, mixed layer chlorophyll was lower than typically observed, resulting in a deeper euphotic zone. Analyses of surface layer temperature and salinity found three distinct surface water types, allowing for diagnosis of whether observed changes were spatial or temporal.The 2018 EXPORTS field deployment is among the most comprehensive biological pump studies ever conducted. A second deployment to the North Atlantic Ocean occurred in spring 2021, which will be followed by focused work on data synthesis and modeling using the entire EXPORTS data set.

Biological pump↗

Modeling, simulation and control for a cryogenic fluid management facility, preliminary report

The synthesis of a control system for a cryogenic fluid management facility was studied. The severe demand for reliability as well as instrumentation and control unique to the Space Station environment are prime considerations. Realizing that the effective control system depends heavily on quantitative description of the facility dynamics, a methodology for process identification and parameter estimation is postulated. A block diagram of the associated control system is also produced. Finally, an on-line adaptive control strategy is developed utilizing optimization of the velocity form control parameters (proportional gains, integration and derivative time constants) in appropriate difference equations for direct digital control. Of special concern are the communications, software and hardware supporting interaction between the ground and orbital systems. It is visualized that specialist in the OSI/ISO utilizing the Ada programming language will influence further development, testing and validation of the simplistic models presented here for adaptation to the actual flight environment.

Turner, Max A.↗

Use of EOS Data in AWIPS for Weather Forecasting

Operational weather forecasting relies heavily on real time data and modeling products for forecast preparation and dissemination of significant weather information to the public. The synthesis of this information (observations and model products) by the meteorologist is facilitated by a decision support system to display and integrate the information in a useful fashion. For the NWS this system is called Advanced Weather Interactive Processing System (AWIPS). Over the last few years NASA has launched a series of new Earth Observation Satellites (EOS) for climate monitoring that include several instruments that provide high-resolution measurements of atmospheric and surface features important for weather forecasting and analysis. The key to the utilization of these unique new measurements by the NWS is the real time integration of the EOS data into the AWIPS system. This is currently being done in the Huntsville and Birmingham NWS Forecast Offices under the NASA Short-term Prediction Research and Transition (SPORT) Program. This paper describes the use of near real time MODIS and AIRS data in AWIPS to improve the detection of clouds, moisture variations, atmospheric stability, and thermal signatures that can lead to significant weather development. The paper and the conference presentation will focus on several examples where MODIS and AIRS data have made a positive impact on forecast accuracy. The results of an assessment of the utility of these products for weather forecast improvement made at the Huntsville NWS Forecast Office will be presented.

Jedlovec, Gary J.↗

Validation and Mechanistic Studies of the Headspace Effect in MOF Synthesis

Abstract The influence of headspace volume and composition on metal–organic framework (MOF) synthesis has been largely overlooked with no mechanisms currently invoking these factors. Herein, we reveal that an increased volume of oxygen in the headspace during the synthesis of zinc carboxylate‐based MOFs (MOF‐5, MOF‐177, and IRMOF‐8) as well as UiO‐66 and ZJU‐28 accelerates crystal formation. Investigation into the underlying mechanism of this phenomenon elucidates the critical roles played by all reagents, and some of their byproducts, in MOF synthesis. These insights are the key to developing more efficient and sustainable synthetic strategies for MOF production.

Donovan, Julia C. [Department of Chemistry Institu↗

Validation and Mechanistic Studies of the Headspace Effect in MOF Synthesis

Abstract The influence of headspace volume and composition on metal–organic framework (MOF) synthesis has been largely overlooked with no mechanisms currently invoking these factors. Herein, we reveal that an increased volume of oxygen in the headspace during the synthesis of zinc carboxylate‐based MOFs (MOF‐5, MOF‐177, and IRMOF‐8) as well as UiO‐66 and ZJU‐28 accelerates crystal formation. Investigation into the underlying mechanism of this phenomenon elucidates the critical roles played by all reagents, and some of their byproducts, in MOF synthesis. These insights are the key to developing more efficient and sustainable synthetic strategies for MOF production.

Donovan, Julia C. [Department of Chemistry Institu↗

Supported-Single Nickel Atom Catalysts for the Methanation of Carbon Dioxide

Synthesis of twenty-seven bimetallic catalysts consisting of nickel and one of nine different dopants (B, Co, Cu, Fe, Mg, Mn, Sn, V, and Zn) supported on three different metal oxides (Al 2 O 3 , CeO 2 , and SiO 2 ) is carried out via organometallic grafting. The catalysts are evaluated for their activity and selectivity for the CO 2 methanation reaction at a feed ratio of H 2 /CO 2 of 4 at 300 °C in a high-throughput flow reactor system. After in situ pre-activation (500 °C in H 2 ), Ni/Co/CeO 2 exhibited high conversion (84.3%) and selectivity for methane (99.6%). Ni/Co/CeO 2 was characterized by high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction, H 2 -temperature-programmed reduction (H 2 -TPR), and CO 2 -temperature-programmed desorption (CO 2 -TPD). HRTEM showed the presence of single Ni and Co atoms on ceria after pre-reduction at 500 °C and after the methanation reaction at 300 °C for 15 h. XPS determined that the strong interaction between Ni, Co, and ceria increased after the reduction, leading to a charge transfer between Ni and Ce that created oxygen vacancies in ceria. Nickel was found to be Ni 2+ in the as-prepared material and was partially reduced in the presence of cobalt and after the activation in H 2 at 500 °C. The DFT results show that both nickel and cerium exhibit lower Bader charges in the Ni/Co/CeO 2 system, confirming that the presence of cobalt enhances the reduction of both Ni and Ce through electronic interactions. This indicates that single cationic Ni atoms are highly effective for the methanation reaction. In conclusion, the organometallic grafting technique is found to be efficient for synthesizing catalysts with highly homogeneous dispersed species at low metal loadings (0.16 wt % Ni–0.15 wt % Co), which leads to high turnover frequency (up to 248.7 h –1 ) and durability for methanation.

CO2 conversion↗