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At least 235 records · Page 13

LSENS, The NASA Lewis Kinetics and Sensitivity Analysis Code

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS (the NASA Lewis kinetics and sensitivity analysis code), are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include: static system; steady, one-dimensional, inviscid flow; incident-shock initiated reaction in a shock tube; and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method (LSODE, the Livermore Solver for Ordinary Differential Equations), which works efficiently for the extremes of very fast and very slow reactions, is used to solve the "stiff" ordinary differential equation systems that arise in chemical kinetics. For static reactions, the code uses the decoupled direct method to calculate sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters. Solution methods for the equilibrium and post-shock conditions and for perfectly stirred reactor problems are either adapted from or based on the procedures built into the NASA code CEA (Chemical Equilibrium and Applications).

Radhakrishnan, K.↗

Gateway Induced Environments Overview

Gateway will be a long duration space station orbiting the Moon in support of NASA’s Artemis campaign. Over its lifetime, Gateway will be exposed to a variety of induced environments, including materials outgassing, chemical and electric thruster plumes, vacuum vents, and lunar dust transport (from the Human Lander System, HLS). Induced Environments can impact vehicle performance and mission success. The multidisciplinary Gateway Induced Environments Team has developed requirements and methodologies to address the complex challenge of integrating multiple elements and visiting vehicles while maintaining the Gateway induced environments within prescribed limits. The Gateway Induced Environments requirements are summarized along with the integration / verification process and preliminary system analysis results.

Gateway↗

Gateway Induced Environments Overview

Gateway will be a long duration space station orbiting the Moon in support of NASA’s Artemis campaign. Over its lifetime, Gateway will be exposed to a variety of induced environments, including materials outgassing, chemical and electric thruster plumes, vacuum vents, and lunar dust transport (from the Human Lander System, HLS). Induced Environments can impact vehicle performance and mission success. The multidisciplinary Gateway Induced Environments Team has developed requirements and methodologies to address the complex challenge of integrating multiple elements and visiting vehicles while maintaining the Gateway induced environments within prescribed limits. The Gateway Induced Environments requirements are summarized along with the integration / verification process and preliminary system analysis results.

Gateway↗

The Role of Conical Intersections in Electronic Quenching of a State OH by H2 and N2

Lester and coworkers have experimentally characterized complexes of OH in the X and A states with H2 and N2. Recently, we have carried out ab initio calculations of relevant portions of the ground state and excited state potential energy surfaces for these systems, including the conical intersection regions, which are responsible for electronic quenching of the A state of OH by H2 and N2. Both of these systems have weakly bound complexes in the X state and strongly bound complexes in the A state. The OH-H2 complex is T-shaped, while the OH-N2 complex is collinear. In both cases the H end of OH is oriented toward the H2 or N2 molecule, respectively. Rotation of the OH about its center of mass involves only a small barrier and rotation by 1800 so that the 0 end of OH is oriented toward the H2 or N2 molecule leads to conical intersections with the ground state surface. Since there is about 95 kcal/mol of available energy after crossing to the ground state surface, chemical reactions on the ground state surface are possible, in addition to electronic quenching. In the case of OH-H2, the conical intersection is much lower in energy than the OH (A state) + H2 asymptotic energy and the A state complex can be characterized as a hanging well on the upper cone of the conical intersection. Passage through the conical intersection places the system on the ground state potential energy surface with the possibility of going to OH (X state) + H2 (i.e. electronic quenching) or to H2O + H (reaction). For OH-N2, the A state complex is also a hanging well on the upper cone of the conical intersection, but the conical intersection is only slightly below the OH (A state) + H2 asymptotic energy. Passage through the conical intersection can lead to OH (X state) + N2 (i.e. electronic quenching), but so far reactive pathways have not been found.

Walch, Stephen P.↗

The combustion program at CTR

Understanding and modeling of turbulent combustion are key problems in the computation of numerous practical systems. Because of the lack of analytical theories in this field and of the difficulty of performing precise experiments, direct numerical simulation (DNS) appears to be one of the most attractive tools to use in addressing this problem. The general objective of DNS of reacting flows is to improve our knowledge of turbulent combustion but also to use this information for turbulent combustion models. For the foreseeable future, numerical simulation of the full three-dimensional governing partial differential equations with variable density and transport properties as well as complex chemistry will remain intractable; thus, various levels of simplification will remain necessary. On one hand, the requirement to simplify is not necessarily a handicap: numerical simulations allow the researcher a degree of control in isolating specific physical phenomena that is inaccessible in experiments. CTR has pursued an intensive research program in the field of DNS for turbulent reacting flows since 1987. DNS of reacting flows is quite different from DNS of non-reacting flows: without reaction, the equations to solve are clearly the five conservation equations of the Navier Stokes system for compressible situations (four for incompressible cases), and the limitation of the approach is the Reynolds number (or in other words the number of points in the computation). For reacting flows, the choice of the equations, the species (each species will require one additional conservation equation), the chemical scheme, and the configuration itself is more complex.

Poinsot, Thierry J.↗

Moist Convection in the Giant Planet Atmospheres

The outer planets of our Solar System display a myriad of interesting cloud features, of different colors and sizes. The differences between the types of observed clouds suggest a complex interplay between the dynamics and chemistry at play on these atmospheres. Particularly, the stark difference between the banded structures of Jupiter and Saturn, vs the sporadic clouds on the ice giants highlights the varieties in dynamic, chemical and thermal processes that shape these atmospheres. Since the early explorations of these planets by spacecrafts, such as Voyager and Voyager 2, there are many outstanding questions about the long term stability of the observed features. One hypothesis is that the internal heat generated during the formation of these planets is transported to the upper atmosphere through latent heat release from convecting clouds (i.e., moist convection). In this review, we present evidences of moist convective activity on the gas giant atmospheres of our Solar System from remote sensing data, both from ground- and space-based observations. We detail the processes that drive moist convective activity, both in terms of the dynamics as well as the microphysical processes that shape the resulting clouds. Finally, we also discuss the effects of moist convection on shaping the large scale dynamics (such as jet structures on these planets).

Planetary Science↗

The Nature of Extraterrestrial Amino Acids in Carbonaceous Chondrites and Links to Their Parent Bodies

Meteorites and samples returned from asteroids and comets provide an important record of the physical and chemical processes that occurred in the early solar system and represent some of the oldest solid materials currently available for laboratory analyses. The delivery of organic matter by extraterrestrial material to the early Earth could have been an important source of complex prebiotic organic molecules available for the emergence of life. Analyses of primitive carbonaceous chondrites over the last five decades have revealed a major insoluble organic component [1,2], as well as a complex and highly diverse suite of soluble organic molecules of prebiotic importance [3,4] that includes carboxylic acids, N-heterocycles, sugars, amino acids, amines, and many other organic molecules that have not yet been identified [5]. Amino acids continue to be a primary focus of many soluble organic analyses in carbonaceous chondrites because (1) these molecules are essential components of life (as the monomers of proteins), (2) they have structural diversity (multiple possible isomers) that can be used to help constrain formation mechanisms and parent body conditions, and (3) most amino acids identified in carbonaceous chondrites are chiral, a property that can be used to distinguish between amino acids of extraterrestrial and terrestrial origins. The degree of parent body hydrothermal alteration has been shown to have a major influence on the formation and destruction of amino acids in carbonaceous meteorites as observed in the measured abundances and molecular distributions [6]. Aqueous alteration in primitive asteroids could have also led to the preferential enrichment of some left-handed amino acids over their right-handed forms, an astounding discovery that suggests that the origin of life on Earth or elsewhere was biased toward left-handed amino acid homochirality [7,8]. This talk will give an overview of what is known about the amino acid composition of carbonaceous chondrites, present some key unanswered questions, and discuss how the analysis of samples returned from asteroids Ryugu and Bennu will further advance our understanding of parent body chemistry and potential contributions from carbonaceous asteroids to the origin of life on Earth or elsewhere.

Daniel P. Glavin↗

Implementation Challenges for Ceramic Matrix Composites in High Temperature Applications

Ceramic matrix composites are leading candidate materials for a number of applications in aeronautics, space, energy, electronics, nuclear, and transportation industries. In the aeronautics and space exploration systems, these materials are being considered for applications in hot sections of jet engines such as the combustor liner, nozzle components, nose cones, leading edges of reentry vehicles and space propulsion components. Applications in the energy and environmental industries include radiant heater tubes, heat exchangers, heat recuperators, gas and diesel particulate filters (DPFs), and components for land based turbines for power generation. These materials are also being considered for use in the first wall and blanket components of fusion reactors. There are a number of critical issues and challenges related to successful implementation of composite materials. Fabrication of net and complex shape components with high density and tailorable matrix properties is quite expensive, and even then various desirable properties are not achievable. In this presentation, microstructure and thermomechanical properties of composites fabricated by two techniques (chemical vapor infiltration and melt infiltration), will be presented. In addition, critical need for robust joining and assembly technologies in successful implementation of these systems will be discussed. Other implementation issues will be discussed along with advantages and benefits of using these materials for various components in high temperature applications.

Singh, Mrityunjay↗

The Interaction of Global Biochemical Cycles

The global biosphere in an exceedingly complex system. To gain an understanding of its structure and dynamic features, it is necessary not only to increase the knowledge about the detailed processes but also to develop models of how global interactions take place. Attempts to analyze the detailed physical, chemical and biological processes in this context need to be guided by an advancement of understanding of the latter. It is necessary to develop a strategy of data gathering that severs both these purposes simultaneously. The following papers deal with critical aspects in the global cycles of carbon, nitrogen, phosphorus and sulfur in details as well as the cycle of water and the flow of energy in the Earth's environment. The objective is to set partly the foundation for the development of mathematical models that allow exploration of the coupled dynamics of the global cycles of carbon, nitrogen, phosphorus, sulfur, as well as energy and water flux.

Moore, B., III↗

Condensation Processes in Astrophysical Environments

Astrophysical systems present an intriguing set of challenges for laboratory chemists. Chemistry occurs in regions considered an excellent vacuum by laboratory standards and at temperatures that would vaporize laboratory equipment. Outflows around Asymptotic Giant Branch (AGB) stars have timescales ranging from seconds to weeks depending on the distance of the region of interest from the star and, on the way significant changes in the state variables are defined. The atmospheres in normal stars may only change significantly on several billion-year timescales. Most laboratory experiments carried out to understand astrophysical processes are not done at conditions that perfectly match the natural suite of state variables or timescales appropriate for natural conditions. Experimenters must make use of simple analog experiments that place limits on the behavior of natural systems, often extrapolating to lower-pressure and/or higher-temperature environments. Nevertheless, we argue that well-conceived experiments will often provide insights into astrophysical processes that are impossible to obtain through models or observations. This is especially true for complex chemical phenomena such as the formation and metamorphism of refractory grains under a range of astrophysical conditions. Data obtained in our laboratory has been surprising in numerous ways, ranging from the composition of the condensates to the thermal evolution of their spectral properties. None of this information could have been predicted from first principals and would not have been credible even if it had.

Nuth, Joseph A., III↗

Meteorites, Organics and Fischer-Tropsch Type Reaction: Production and Destruction

There has been an ongoing debate about the relative importance about the various chemical reactions that fonned organics in the early solar system. One proposed method that has long been recognized as a potential source of organics is Fischer-Tropsch type (FTT) synthesis. This process is commonly used in industry to produce fuels (i.e., complex hydrocarbons) by catalytic hydrogenation of carbon monoxide. Hill and Nuth were the first to publish results of FTT experiments that also included Haber-Bosch (HB) processes (hydrogenation of nitrogen. Their findings included the production of nitrilebearing compounds as well as trace amounts of methyl amine. Previous experience with these reactions revealed that the organic coating deposited on the grains is also an efficient catalyst and that the coating is composed of insoluble organic matter (10M) and could be reminiscent of the organic matrix found in some meteorites. This current set of FTT-styled experiments tracks the evolution of a set of organics, amino acids, in detail.

Johnson, Natasha M.↗

Acid-Sulfate Alteration at Gusev Crater and Across Mars: High-SiO2 Residues and Ferric Sulfate Precipitates

The Mars Exploration Rover Spirit ended its mission in Gusev crater on sol 2210 after it had become stuck in a deposit of fined-grained and sulfate rich soil with dust covered solar panels unfavorably pointed toward the sun. Final analysis of remaining data from Spirit's Moessbauer spectrometer (Fe redox and mineralogy) for sols 1529 through 2071 is now complete. We focus here on chemical (APXS) and MB data for targets having high-SiO2 or high-SO3 and process link the targets through mixing and geochemical modelling to an acid-sulfate system centered at Home Plate, which is considered to be a hydrovolcanic complex.

Morris, R. V.↗

Development of Machine Learning Algorithms to Segment and Study Images of Astromaterial Samples

Introduction: Micrometer-scale chemical analyses of chondritic meteorites and mission-returned asteroid samples can reveal details of the physical and chemical processes operating in the early solar system, including processes that gave rise to planets, moons, and minor bodies. These primitive astromaterials are comprised of chondrules, calcium- and aluminum-rich inclusions (CAI), and many other silicates, oxides, metals, sulfides, and fine-grained materials. The chemical and mineralogical complexity of these samples, vast populations of different components, and heterogeneity across mm to km scales, all limit our understanding of the origin and evolution of these materials. Here, we describe recent efforts to use machine learning techniques to automate the segmentation of chemical maps of chondritic meteorites, designed to aid studies of asteroid samples returned by spacecraft. By automating the task of segmentation it will become possible to rapidly analyze and interpret the sizes, shapes, mineralogy, chemistry, and other properties of every chondrule, calcium- and aluminum-rich inclusion (CAI) and other clast within and between asteroid samples. Sample return missions significantly accelerate and heighten the need to develop such new data analysis techniques, and associated data repositories. Techniques: Neural networks require abundant training data, i.e. images which have been segmented by a human user. We have manually segmented data available from previous petrologic and chemical work at NASA Johnson Space Center and the American Museum of Natural History [1-4]. These data were derived from energy- and wavelength-dispersive X-ray spectroscopy (EDS, WDS) mapping of samples from many chondrite groups. The Deeplabv3+ [5] neural network architecture was trained on human-labeled masks and used to create machine-labeled masks. Several different algorithms were investigated, with inputs ranging from common RGB image formats through to hyperspectral datasets, with raw data comprising greyscale maps of Mg, Ca, and Al, with or without Si, Fe, Ti for both EDS and WDS data, and extending to other elements in EDS only. Each greyscale image was paired with a binary mask for each labelled particle type. Results: The trained algorithms can segment (Fig 1), classify, and measure the dimensions of thousands of particles in chemical maps of a standard 1-inch round petrographic section in seconds to minutes, rather than many hours needed by a human. Accuracy of the algorithms varied from chondrite to chondrite and across particle types. Further results and details of the algorithms will be presented at the workshop. Future directions: Machine learning has the potential to revolutionize our understanding of complex particle populations contained within primitive astromaterial, with segmentation being a critical first step. Example applications include better understanding of particle transport, nebular reservoirs, parent body accretion, and a deeper understanding of the relationships between particle populations and bulk rock elemental and isotopic compositions. In addition to benefits that machine learning can bring to individual researchers, building a community data repository of thousands to millions of particles across hundreds of samples will open up many other possibilities. For example, with a large enough dataset it will be possible to search for exceptionally closely matching particles across disparate samples. Such a capability would enable a single CAI from OSIRISREx or Hayabusa/II samples to be matched to chondritic CAIs that exhibit near-identical size, texture, and mineralogy, down to the level of similar core phenocrysts, zonation, and rim sequences. Such comparative analyses will help to disentangle precursor chemistry, chronology, gas/dust reservoirs during heating, and accretion. Such an endeavor would be impossible without machine learning and a large community data repository of astromaterial chemical/mineralogic maps.

Machine Learning↗

Design, Analysis, Testing, and Flight Activities for A Green Propulsion Dual Mode (Gpdm) Technology Demonstration Mission

NASA’s Strategic Plan (2022) outlines specific technology development objectives which direct the Agency to “innovate and advance transformational space technologies.” An example of these potentially high-impact space technologies is the low-toxicity or “green” rocket propellant known as ASCENT (or Advanced Spacecraft Energetic Non-Toxic Propellant). Developed in the 2010’s by the Air Force Research Lab (AFRL), ASCENT (formerly AF-315E) has shown improved specific impulse density (50% higher) vs. hydrazine in addition to its favorable in-space storability and ease of handling capability. The chemical propulsion capability of ASCENT has been demonstrated on several missions including the Green Propulsion Infusion Mission (GPIM) in 2019 and most recently, the Lunar Flashlight mission. ASCENT is an ionic liquid, which lends itself as both a chemical and an electrospray propellant. The capability to use the same propellants in multiple modes using the same propellant tank and feed system has yet to be demonstrated in orbit. This capability, if proven successful has the potential to reduce system weight and complexity, while taking advantage of both high thrust and high propellant efficiency in electrospray mode. The GPDM Project, managed by the Marshall Space Flight Center is seeking to develop a dual-mode propulsion system as the payload on a small spacecraft (6U CubeSat) and subsequent in-space demonstration. This paper will summarize the concept, ground testing as well as mission operations plan for demonstrating green “dual-mode” propulsion.

Nehemiah J. Williams↗

Ethane Ices in the Outer Solar System: Spectroscopy and Chemistry

We report recent experiments on ethane ices made at temperatures applicable to the outer Solar System. New near- and mid-infrared data for crystalline and amorphous ethane, including new spectra for a seldom-studied solid phase that exists at 35-55 K, are presented along with radiation-chemical experiments showing the formation of more-complex hydrocarbons,

Hudson, R. L.↗

Ethane Ices in the Outer Solar System: Spectroscopy and Chemistry

We report recent experiments on ethane ices made at temperatures applicable to the outer Solar System. New near- and mid-infrared data for crystalline and amorphous ethane, including new spectra for a seldom-studied solid phase that exists at 35-55 K, are presented along with radiation-chemical experiments showing the formation of more-complex hydrocarbons

Hudson, R. L.↗

The Caltech Concurrent Computation Program - Project description

The Caltech Concurrent Computation Program wwhich studies basic issues in computational science is described. The research builds on initial work where novel concurrent hardware, the necessary systems software to use it and twenty significant scientific implementations running on the initial 32, 64, and 128 node hypercube machines have been constructed. A major goal of the program will be to extend this work into new disciplines and more complex algorithms including general packages that decompose arbitrary problems in major application areas. New high-performance concurrent processors with up to 1024-nodes, over a gigabyte of memory and multigigaflop performance are being constructed. The implementations cover a wide range of problems in areas such as high energy and astrophysics, condensed matter, chemical reactions, plasma physics, applied mathematics, geophysics, simulation, CAD for VLSI, graphics and image processing. The products of the research program include the concurrent algorithms, hardware, systems software, and complete program implementations.

Fox, G.↗

Interacting Surfaces and Atmospheres in the Outer Solar System

The work reported here is an extension of ongoing efforts in data reduction and modeling of the spectral reflectances of several objects in the outer Solar System. In general terms, this requires an evaluation of the data obtained at the telescope, conversion of those data into geometric albedo units, and the combination of individual spectrum segments into a complete spectrum over the wavelength interval of interest. The modeling effort to produce a synthetic spectrum of a given Solar System object requires the complex refractive indices (the optical constants) of candidate surface materials, including ices, minerals, and organic solids. Those indices are primarily available only through contacts with other researchers, including colleagues at NASA Ames and at other institutions. Once obtained, the indices must be convolved with the telescopic data and then used in a computational model to produce the required synthetic spectrum for comparison with the data obtained at the telescope. In this way, we reach a convergence on the chemical composition and microstructural properties of the surfaces of objects in the outer Solar System.

DalleOre, Cristina↗