Different bands for different spins. III - Solid atomic hydrogen.
AMO method applied to bcc crystal of hydrogen atoms, taking into account all many-center integrals
BODY CENTERED CUBIC /BCC/ CRYSTAL↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Deuteron NMR (Nuclear Magnetic Resonance) in relation to the glass transition in polymers
H-2NMR is introduced as a tool for investigating slow molecular motion in the glass transition region of amorphous polymers. In particular, we compare H-2 spin alignment echo spectra of chain deuterated polystyrene with model calculations for restricted rotational Brownian motion. Molecular motion in the polyztyrene-toluene system has been investigated by analyzing H-2NMR of partially deuterated polystyrene and toluene, respectively. The diluent mobility in the mixed glass has been decomposed into solid and liquid components where the respective average correlation times differ by more than 5 decades.
Roessler, E.↗
Interstellar absorption features toward the compact infrared source W33A
A high-resolution (lambda/Delta lambda of approximately 2000) broad-bandwidth (3.3-5.0 microns) spectrum of the compact infrared source W33A is presented. Four absorption features are associated with compositionally distinct components in the interstellar medium: solid-phase C3, CN, or CH3OH at 4.9 microns, solid-phase CO and either solid or gaseous CH3NC near 4.6 microns and the well-known dirty ice feature near 3 microns. The analysis of this spectrum supports chemically complex models of grain mantle evolution in cold, quiescent molecular clouds.
Larson, H. P.↗
Rod/Coil Block Copolyimides for Ion-Conducting Membranes
Rod/coil block copolyimides that exhibit high levels of ionic conduction can be made into diverse products, including dimensionally stable solid electrolyte membranes that function well over wide temperature ranges in fuel cells and in lithium-ion electrochemical cells. These rod/coil block copolyimides were invented to overcome the limitations of polymers now used to make such membranes. They could also be useful in other electrochemical and perhaps some optical applications, as described below. The membranes of amorphous polyethylene oxide (PEO) now used in lithium-ion cells have acceptably large ionic conductivities only at temperatures above 60 C, precluding use in what would otherwise be many potential applications at lower temperatures. PEO is difficult to process, and, except at the highest molecular weights it is not very dimensionally stable. It would be desirable to operate fuel cells at temperatures above 80 C to take advantage of better kinetics of redox reactions and to reduce contamination of catalysts. Unfortunately, proton-conduction performance of a typical perfluorosulfonic polymer membrane now used as a solid electrolyte in a fuel cell decreases with increasing temperature above 80 C because of loss of water from within the membrane. The loss of water has been attributed to the hydrophobic nature of the polymer backbone. In addition, perfluorosulfonic polymers are expensive and are not sufficiently stable for long-term use. Rod/coil block copolyimides are so named because each molecule of such a polymer comprises short polyimide rod segments alternating with flexible polyether coil segments (see figure). The rods and coils can be linear, branched, or mixtures of linear and branched. A unique feature of these polymers is that the rods and coils are highly incompatible, giving rise to a phase separation with a high degree of ordering that creates nanoscale channels in which ions can travel freely. The conduction of ions can occur in the coil phase, the rod phase, or both phases.
Meador, Mary Ann B.↗
Numerical simulation of the general circulation of the atmosphere of Titan
The atmospheric circulation of Titan is investigated with a general circulation model. The representation of the large-scale dynamics is based on a grid point model developed and used at Laboratoire de Meteorologie Dynamique for climate studies. The code also includes an accurate representation of radiative heating and cooling by molecular gases and haze as well as a parametrization of the vertical turbulent mixing of momentum and potential temperature. Long-term simulations of the atmospheric circulation are presented. Starting from a state of rest, the model spontaneously produces a strong superrotation with prograde equatorial winds (i.e., in the same sense as the assumed rotation of the solid body) increasing from the surface to reach 100 m sec-1 near the 1-mbar pressure level. Those equatorial winds are in very good agreement with some indirect observations, especially those of the 1989 occultation of Star 28-Sgr by Titan. On the other hand, the model simulates latitudinal temperature contrasts in the stratosphere that are significantly weaker than those observed by Voyager 1 which, we suggest, may be partly due to the nonrepresentation of the spatial and temporal variations of the abundances of molecular species and haze. We present diagnostics of the simulated atmospheric circulation underlying the importance of the seasonal cycle and a tentative explanation for the creation and maintenance of the atmospheric superrotation based on a careful angular momentum budget.
NASA Discipline Exobiology↗
Influence of reforming processes on the fracture strength of solids.
Reformation processes effect on stress-time-to- fracture behavior of solids, considering governing differential equation
FRACTURE TOUGHNESS↗
Microgravity Platforms
The world's space agencies have been conducting microgravity research since the beginning of space flight. Initially driven by the need to understand the impact of less than- earth gravity physics on manned space flight, microgravity research has evolved into a broad class of scientific experimentation that utilizes extreme low acceleration environments. The U.S. NASA microgravity research program supports both basic and applied research in five key areas: biotechnology - focusing on macro-molecular crystal growth as well as the use of the unique space environment to assemble and grow mammalian tissue; combustion science - focusing on the process of ignition, flame propagation, and extinction of gaseous, liquid, and solid fuels; fluid physics - including aspects of fluid dynamics and transport phenomena; fundamental physics - including the study of critical phenomena, low-temperature, atomic, and gravitational physics; and materials science - including electronic and photonic materials, glasses and ceramics, polymers, and metals and alloys. Similar activities prevail within the Chinese, European, Japanese, and Russian agencies with participation from additional international organizations as well. While scientific research remains the principal objective behind these program, all hope to drive toward commercialization to sustain a long range infrastructure which .benefits the national technology and economy. In the 1997 International Space Station Commercialization Study, conducted by the Potomac Institute for Policy Studies, some viable microgravity commercial ventures were identified, however, none appeared sufficiently robust to privately fund space access at that time. Thus, government funded micro gravity research continues on an evolutionary path with revolutionary potential.
Del Basso, Steve↗
Multiple jets from the young star IRAS 21334 + 5039
The source IRAS 21334 + 5039, a young stellar object (YSO) with broad CO outflow velocity profiles, was imaged in the 1-2 micron region with broad-band J, H, and K filters, and with a Fabry-Perot set to the molecular hydorgen v = 1-0 S(1) line, the hydrogen Br-gamma recombination line, and the neighboring continua. At 2 microns the source has an elongated continuum emission structure centered on the star. The structure has very blue tips, with a weak VLA 6 cm continuum source coincident with one of them. Strong molecular hydrogen emission appears as bow-shaped arcs oriented along an axis perpendicular to the continuum emission, and as a weaker structure aligned with it. Both the continuum and the molecular hydrogen emission are most likely produced by jets, possibly emanating in multiple directions from the central source at large angles to each other. While jets are a common feature of young stars, this source provides solid evidence for multiple jet structures.
Smith, Howard A.↗
Confined-Pyrolysis as an Experimental Method for Hydrothermal Organic Synthesis
A closed pyrolysis system has been developed as a tool for studying the reactions of organic compounds under extreme hydrothermal conditions. Small high pressure stainless steel vessels in which the ratio of sediment or sample to water has been adjusted to eliminate the headspace at peak experimental conditions confines the organic components to the bulk solid matrix and eliminates the partitioning of the organic compounds away from the inorganic components during the experiment. Confined pyrolysis experiments were performed to simulate thermally driven catagenetic changes in sedimentary organic matter using a solids to water ratio of 3.4 to 1. The extent of alteration was measured by monitoring the steroid and triterpenoid biomarkers and polycyclic aromatic hydrocarbon distributions. These pyrolysis experiments duplicated the hydrothermal transformations observed in nature. Molecular probe experiments using alkadienes, alkenes and alkanes in H2O and D2O elucidated the isomerization and hydrogenation reactions of aliphatic and the competing oxidative reactions occurring under hydrothermal conditions. This confined pyrolysis technique is being applied to test experiments on organic synthesis of relevance to chemical evolution for the origin of life.
Leif, Roald N.↗
Axisymmetric Implementation for 3D-Based DSMC Codes
The primary objective in developing NASA s DSMC Analysis Code (DAC) was to provide a high fidelity modeling tool for 3D rarefied flows such as vacuum plume impingement and hypersonic re-entry flows [1]. The initial implementation has been expanded over time to offer other capabilities including a novel axisymmetric implementation. Because of the inherently 3D nature of DAC, this axisymmetric implementation uses a 3D Cartesian domain and 3D surfaces. Molecules are moved in all three dimensions but their movements are limited by physical walls to a small wedge centered on the plane of symmetry (Figure 1). Unfortunately, far from the axis of symmetry, the cell size in the direction perpendicular to the plane of symmetry (the Z-direction) may become large compared to the flow mean free path. This frequently results in inaccuracies in these regions of the domain. A new axisymmetric implementation is presented which aims to solve this issue by using Bird s approach for the molecular movement while preserving the 3D nature of the DAC software [2]. First, the computational domain is similar to that previously used such that a wedge must still be used to define the inflow surface and solid walls within the domain. As before molecules are created inside the inflow wedge triangles but they are now rotated back to the symmetry plane. During the move step, molecules are moved in 3D but instead of interacting with the wedge walls, the molecules are rotated back to the plane of symmetry at the end of the move step. This new implementation was tested for multiple flows over axisymmetric shapes, including a sphere, a cone, a double cone and a hollow cylinder. Comparisons to previous DSMC solutions and experiments, when available, are made.
Stewart, Benedicte↗
A Structural and Molecular Approach for the Study Biomarkers
Investigation of the nucleation and growth of crystals in both abiotic and biotic systems is critical to seemingly diverse disciplines of geology, biology, environmental science, and astrobiology. While there are abundant studies devoted to the determination of the structure and composition of inorganic crystals, as well as to the development of thermodynamic and kinetic models, it is only recently that research efforts have been directed towards understanding mineralization in biological systems (i.e., biomineralization). Biomineralization refers to the processes by which living organisms form inorganic solids. Studies of the processes of biomineralization under low temperature aqueous conditions have focused primarily on magnetite forming bacteria and shell forming marine organisms. Many of the biological building materials consist of inorganic minerals (calcium carbonate, calcium phosphate, silica or iron oxide) intricately combined with organic polymers (like proteins). More recently, efforts have been undertaken to explore the nature of biological activities in ancient rocks. In the absence of well-preserved microorganisms or genetic material required for the polmerase chain reaction (PCR) method in molecular phylogenetic studies, using biominerals as biomarkers offers an alternative approach for the recognition of biogenic activity in both terrestrial and extraterrestrial environments. The primary driving force in biomineralization is the interaction between organic and inorganic phases. Thus, the investigation of the ultrastructure and the nature of reactions at the molecular level occurring at the interface between inorganic and organic phases is essential to understanding the processes leading to the nucleation and growth of crystals. It is recognized that crystal surfaces can serve as the substrate for the organization of organic molecules that lead to the formation of polymers and other complex organic molecules, and in discussions of the origins of life, is referred to as organic synthesis on mineral surfaces. Furthermore, it is suggested that the interaction between mineral surfaces and simple organic molecules resulted in the formation of amino acids, RNA, and perhaps other more complex molecules such as proteins. On the other hand, in natural systems, it is recognized that functional groups on cell walls or membranes of microorganisms serve as sites of nucleation and crystallization. The precise replication of biominerals with controlled structure, morphology, size and texture is not confined to higher organisms as it also occurs in primitive prokaryotic cells such as magnetotactic bacteria and cyanobacteria. This suggests that the principal strategies of biomineralization were established early on in the evolutionary history of organisms. It is critical, therefore, to search for common mechanisms within diverse biological systems. One such common factor is the capability for organization and self-assembly. Organic macromolecules such as proteins and lipids can aggregate and polymerize forming membranes or extracellular matrix. At the organic-inorganic interface, several factors such as lattice geometry, polarity, stereochemistry and topography may act in concert to control nucleation and growth of crystals. Although several models have been proposed that discuss the significance of these factors for biomineralization, no comprehensive experimental data are available. In contrast to crystallization in exclusively inorganic systems, the kinetics of reaction and structural relationships between organic and inorganic phases in biominerals or biomimetic material is poorly understood. For example, it is not clear if the concept of epitactic growth (geometrical matching of unit cells at the interface of a secondary crystal growing on a primary crystal) applies to organic-inorganic systems. In contrast to inorganic templates that often have a smooth and rigid surface that promotes epitactic growth, biological substrates are usually rough and result in a large degree of mismatch. It is apparent that factors controlling the reaction at the crystal-matrix interface are strongly dependent upon the nature of the substrate. Therefore, characterization of the assembled organic surface and surface structure of the inorganic phase is crucial to understanding the processes of biomineralization. The focus of our research is the investigation of the processes leading to the nucleation and growth of crystals on both natural and synthetic systems through an interdisciplinary approach that integrates molecular biology, morphology and mineralogy using advanced preparation and analytical techniques. We have studied run-products, particularly magnetite, siderite and other carbonates, that resulted from extracellular biomineralization by extremophiles isolated from a variety of extreme environments ranging from permafrost to hydrothermal vent systems. The results of this study are critical to recognizing biomarkers in terrestrial and extraterrestrial environments.
Thomas-Keprta, Kathie↗
Optical radiation from the interaction of energetic atoms, ions, electrons, and photons with surfaces
Heavy particle, electron, and UV photon bombardment of solid surfaces has been recently observed to result in the emission of infrared, visible, and ultraviolet radiation. This effect occurs over a wide range of incident projectile energies. Line radiation arising from transitions between discrete atomic or molecular levels may be attributed to the decay of excited particles which have been sputtered or electronically/chemically desorbed from the surface. Broadband continuum radiation, which is also observed, is believed to arise either from fluorescence of the near surface bulk or from the radiative decay of desorbed excited clusters. Spacecraft, in the ambient near Earth environment, are subject to such bombardment. The dynamics of energetic particle and photon beam interactions with surfaces which lead to surface erosion and glow phenomena will be treated. In addition, projected experimental and theoretical studies of oxygen and nitrogen beam surface interactions on materials characteristic of spacecraft surfaces will be discussed.
Tolk, N. H.↗
A Method for Characterizing Thermoset Polyimides
Thermoset polyimides have great potential for successfully meeting tough stress and temperature challenges in the advanced aircraft development program. However, studies of structure-property relationships in these materials have not been very successful so far. Positron lifetime spectroscopy (PLS) has been used to investigate free volumes and associated parameters in a series of variable, segmental molecular weight samples. The free volume correlates well with the molecular weight M(sub c), the cross-link density v, and the coefficient of thermal expansion (CTE) of these materials. Currently, no other techniques are available for direct measurement of these parameters, particularly for polymers in solid phase. Experimental results and their interpretations are presented.
Ranganathaiah, C.↗
The Composition of Organics and Volatiles in the Interstellar Medium
Tremendous progress has been made in our understanding of the composition of interstellar dust through the combined use of telescopic observations, theoretical models, laboratory studies of analogs, and the analysis of interstellar samples found in meteorites. It is increasingly clear that the interstellar medium (ISM) contains an enormous diversity of materials created by a wide range of chemical and physical processes. This paper reviews some of our current knowledge of the organic and volatile materials thought to exist in the ISM. These compounds supply a significant portion of the material that makes up the interstellar dense molecular clouds from which new stars and planetary systems are formed, and thus represents an important reservoir of material that could play key roles in the formation and evolution of life. This paper will largely focus on solid materials, as opposed to gases, since solids contain a major fraction of the heavier elements in clouds and because solids are most likely to survive incorporation into new planetary systems in identifiable form. The paper concludes with a brief discussion of the astrobiological relevance of some of the compounds now known or suspected to be present in the ISM.
Sandford, Scott A.↗
The Inventory of Interstellar Materials Available for the Formation of the Solar System
Dr. Derek Sears, the editor of the journal Meteoritics and Planetary Science, has established a policy of having each issue of the journal contain an invited review of an area that he deems to be of special cur-rent importance. Typically 20 to 25 pages of the beginning of the journal are devoted to each review. He has asked me to prepare such a review summarizing what we know about the composition and structure of interstellar materials. The attached paper is the result. This is a good time for such a review since tremendous progress has been made in the field of interstellar dust in recent years through the use of telescopic observations, theoretical studies, laboratory studies of analogs, and the study of actual interstellar samples found in meteorites. It is increasing clear that the interstellar medium (ISM) contains an enormous diversity of materials created by a wide range of chemical and physical processes. This understanding is a far cry from the picture of interstellar materials held as recently as two decades ago, a picture which incorporated only a few generic types of grains and few molecules. In the paper I review our current knowledge of the more abundant materials thought to exist in the ISM. The review concentrates on matter in interstellar dense molecular clouds since it is the materials in these environments from which new stars and planetary systems are formed, although materials in circumstellar environments and in the diffuse ISM are also discussed. The paper focuses largely on solid materials since they contain a major fraction of the heavier elements in clouds and because solids are most likely to survive incorporation into new planetary systems in identifiable form. The paper concludes with discussion of some of the implications resulting from the identification of these interstellar materials. I also present some new thoughts, the most intriguing being that meteoritic 'microdiamonds' may be the same material that modelers of the interstellar extinction call graphite! If my suggestion is correct it will help resolve the dilemma associated with the current over-subscription of cosmic C and should lead to some new approaches to both extinction models and the study of meteoritic interstellar microdiamonds.
Sandford, Scott A.↗
Ionic Liquids at Electrified Interfaces: From Double Layers to Decomposition
Ionic liquids are versatile electrolytes whose properties at electrified interfaces have the potential to enable technologies such as supercapacitors and Li-metal battery anodes. At electrified carbon surfaces, ionic liquids form an electric double layer that stores energy and provides the foundation for supercapacitors. At electrified lithium surfaces, ionic liquids decompose to form a solid electrolyte interphase that has the potential to stabilize Li-metal anodes in rechargable batteries. The behavior of two ionic liquids of technological importance, [pyr14][TFSI] and [EMIM][BF4], are examined at these electrified interfaces through molecular dynamics and ab initio techniques.
Haskins, Justin B.↗
Ionic Liquids at Electrified Interfaces: from Double Layers to Decomposition
Ionic liquids are versatile electrolytes whose properties at electrified interfaces have the potential to enable technologies such as supercapacitors and Li-metal battery anodes. At electrified carbon surfaces, ionic liquids form an electric double layer that stores energy and provides the foundation for supercapacitors. At electrified lithium surfaces, ionic liquids decompose to form a solid electrolyte interphase that has the potential to stabilize Li-metal anodes in rechargable batteries. The behavior of two ionic liquids of technological importance, [pyr14][TFSI] and [EMIM][BF4], are examined at these electrified interfaces through molecular dynamics and ab initio techniques.
Haskins, Justin B.↗
Ionic Liquids at Electrified Interfaces: from Double Layers to Decomposition
Ionic liquids are versatile electrolytes whose properties at electrified interfaces have the potential to enable technologies such as supercapacitors and Li-metal battery anodes. At electrified carbon surfaces, ionic liquids form an electric double layer that stores energy and provides the foundation for supercapacitors. At electrified lithium surfaces, ionic liquids decompose to form a solid electrolyte interphase that has the potential to stabilize Li-metal anodes in rechargable batteries. The behavior of two ionic liquids of technological importance, [pyr14][TFSI] and [EMIM][BF4], are examined at these electrified interfaces through molecular dynamics and ab initio techniques.
Haskins, Justin B.↗