Sum rule functions
Sum rule functions for expressions of atomic or molecular quantum mechanical properties
Barnsley, M.↗
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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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The preliminary Long Duration Exposure Facility (LDEF) materials data base
A preliminary Long Duration Exposure Facility (LDEF) Materials Data Base was developed by the LDEF Materials Special Investigation Group (MSIG). The LDEF Materials Data Base is envisioned to eventually contain the wide variety and vast quantity of materials data generated for LDEF. The data is searchable by optical, thermal, and mechanical properties, exposure parameters (such as atomic oxygen flux), and author(s) or principal investigator(s). The LDEF Materials Data Base was incorporated into the Materials and Processes Technical Information System (MAPTIS). MAPTIS is a collection of materials data which was computerized and is available to engineers, designers, and researchers in the aerospace community involved in the design and development of spacecraft and related hardware. This paper describes the LDEF Materials Data Base and includes step-by-step example searches using the data base. Information on how to become an authorized user of the system is included.
Funk, Joan G.↗
Materials And Processes Technical Information System (MAPTIS) LDEF materials data base
A preliminary Long Duration Exposure Facility (LDEF) Materials Data Base was developed by the LDEF Materials Special Investigation Group (MSIG). The LDEF Materials Data Base is envisioned to eventually contain the wide variety and vast quantity of materials data generated from LDEF. The data is searchable by optical, thermal, and mechanical properties, exposure parameters (such as atomic oxygen flux) and author(s) or principal investigator(s). Tne LDEF Materials Data Base was incorporated into the Materials and Processes Technical Information System (MAPTIS). MAPTIS is a collection of materials data which has been computerized and is available to engineers, designers, and researchers in the aerospace community involved in the design and development of spacecraft and related hardware. The LDEF Materials Data Base is described and step-by-step example searches using the data base are included. Information on how to become an authorized user of the system is included.
Funk, Joan G.↗
Turbulent multiphase flows
Measurements and predictions of the structure of several multiphase flows are considered. The properties of dense sprays near the exits of pressure-atomizing injectors and of noncombusting and combusting dilute dispersed flows in round-jet configurations are addressed. It is found that the properties of dense sprays exhibit structure and mixing properties similar to variable-density single-phase flows at high Reynolds numbers within the atomization regime. The degree of development and turbulence levels at the injector exit have a surprisingly large effect on the structure and mixing properties of pressure-atomized sprays, particularly when the phase densities are large. Contemporary stochastic analysis of dilute multiphase flows provides encouraging predictions of turbulent dispersion for a wide variety of jetlike flows, particle-laden jets in gases and liquids, noncondensing and condensing bubbly jets, and nonevaporating, evaporating, and combusting sprays.
Faeth, G. M.↗
Protective coatings for composite tubes in space applications
Protective coatings for graphite/epoxy (Gr/Ep) tubular structures for a Manned Space Station truss structure were evaluated. The success of the composite tube truss structure depends on its stability to long-term exposure to the Low Earth Orbit (LEO) environment with particular emphasis placed on atomic oxygen. Concepts for protectively coating Gr/Ep tubes include use of inorganic coated metal foils and electroplating. These coatings were applied to Gr/Ep tubes and then subjected to simulated LEO environmnet to evaluate survivability of coatings and coated tubes. Evaluation included: atomic oxygen resistance, changes in optical properties and adhesion, abrasion resistancem surface preparation required, coating uniformity, and formation of microcracks in the Gr/Ep tubes caused by thermal cycling. Program results demonstrated that both phosphoric and chromic acid anodized Al foil provided excellent adhesion to Gr/Ep tubes and exhibited stable optical properties when subjected to simulated LEO environment. The SiO2/Al coatings speuttered onto Al foils also resulted in an excellent protective coating. Electroplated Ni exhibited unaccepatble adhesion loss to Gr/Ep tubes during atomic oxygen exposure.
Dursch, Harry W.↗
Protective coatings for composite tubes in space applications
Protective coatings for graphite/epoxy (Gr/Ep) tubular structures for a manned Space Station truss structure were evaluated. The success of the composite tube truss structure depends on its stability to long-term exposure to the low earth orbit (LEO) environment, with particular emphasis placed on atomic oxygen. Concepts for protectively coating Gr/Ep tubes include use of inorganic coated metal foils and electroplating. These coatings were applied to Gr/Ep tubes and then subjected to simulated LEO environment to evaluate survivability of coatings and coated tubes. Evaluation included: atomic oxygen resistance, changes in optical properties and adhesion, abrasion resistance, surface preparation required, coating uniformity, and formation of microcracks in the Gr/Ep tubes caused by thermal cycling. Program results demonstrated that both phosphoric and chromic acid anodized Al foil provided excellent adhesion to Gr/Ep tubes and exhibited stable optical properties when subjected to simulated LEO environment. The SiO2/Al coatings sputtered onto Al foils also resulted in an excellent protective coating. Electroplated Ni exhibited unacceptable adhesion loss to Gr/Ep tubes during atomic oxygen exposure.
Dursch, Harry W.↗
The electrospray: Fundamentals and combustion applications
Liquid fuel dispersion in practical systems is typically achieved by spraying the fuel into a polydisperse distribution of droplets evaporating and burning in a turbulent gaseous environment. In view of the nearly unsurmountable difficulties of this two-phase flow, it would be useful to use an experimental arrangement that allow a systematic study of spray evolution and burning in configurations of gradually increasing levels of complexity, starting from laminar sprays to fully turbulent ones. An Electrostatic Spray (ES) of charged droplets lends itself to this type of combustion experiments under well-defined conditions and can be used to synthesize gradually more complex spray environments. In its simplest configuration, a liquid is fed into a small metal tube maintained at several kilovolts relative to a ground electrode few centimeters away. Under the action of the electric field, the liquid meniscus at the outlet of the capillary takes a conical shape, with a thin jet emerging from the cone tip. This jet breaks up farther downstream into a fine spray of charged droplets. Several advantages distinguish the electrospray from alternative atomization techniques: the self-dispersion property of the spray due to coulombic repulsion; the absence of droplet coalescence; the potential control of the trajectories of charged droplets by suitable disposition of electrostatic fields; and the decoupling of atomization, which is strictly electrostatic, from gas flow processes. Furthermore, as recently shown in our laboratory, the electrospray can produce quasi-monodisperse droplets over a very broad size range (1-100 microns). The ultimate objective of this research project is to study the formation and burning of electrosprays of liquid fuels first in laminar regimes and then in turbulent ones. Combustion will eventually be investigated in conditions of three-dimensional droplet-droplet interaction, for which experimental studies have been limited to either qualitative observations in sprays or more quantitative observations on simplified systems consisting of a small number of droplets or droplet arrays. The compactness and potential controllability of this spray generaiton system makes it appealing for studies to be undertaken in the next two years on electrospray combustion in reduced-gravity environments such as those achievable at NASA microgravity test facilities.
Gomez, Alessandro↗
Results of the examination of LDEF polyurethane thermal control coatings
This report summarizes the condition of polyurethane thermal control coatings subjected to 69 months of low earth orbit (LEO) exposure on the Long Duration Exposure Facility (LDEF) mission. Specimens representing all environmental aspects obtainable by LDEF were analyzed. Widely varying changes in the thermo-optical and mechanical properties of these materials were observed, depending on atomic oxygen and ultraviolet radiation fluences. High atomic oxygen fluences, regardless of ultraviolet radiation exposure levels, resulted in near original optical properties for these coatings but with a degradation in their mechanical condition. A trend in solar absorptance increase with ultraviolet radiation fluence was observed. Contamination, though observed, exhibited minimal effects.
Golden, Johnny L.↗
The LDCE Particle Impact Experiment as flown on STS-46
Many materials and techniques have been developed by the authors to sample the flux of particles in Low Earth Orbit (LEO). Though regular in-site sampling of the flux in LEO the materials and techniques have produced data which compliment the data now being amassed by the Long Duration Exposure Facility (LDEF) research activities. Orbital debris models have not been able to describe the flux of particles with d sub p less than or = 0.05 cm, because of the lack of data. Even though LDEF will provide a much needed baseline flux measurement, the continuous monitoring of micron and sub-micron size particles must be carried out. A flight experiment was conducted on the Space Shuttle as part of the LDCE payload to develop an understanding of the Spatial Density (concentration) as a function of size (mass) for particle sizes 1 x 10(exp 6) cm and larger. In addition to the enumeration of particle impacts, it is the intent of the experiment that hypervelocity particles be captured and returned intact. Measurements will be performed post flight to determine the flux density, diameters, and subsequent effects on various optical, thermal control and structural materials. In addition to these principal measurements, the Particle Impact Experiment (PIE) also provides a structure and sample holders for the exposure of passive material samples to the space environment, e.g., thermal cycling, and atomic oxygen, etc. The experiment will measure the optical property changes of mirrors and will provide the fluence of the ambient atomic oxygen environment to other payload experimenters. In order to augment the amount of material returned in a form which can be analyzed, the survivability of the experiment as well as the captured particles will be assessed. Using Sandia National Laboratory's hydrodynamic computer code CTH, hypervelocity impacts on the materials which comprise the experiments have been investigated and the progress of these studies are reported.
Maag, Carl R.↗
Scattering and Diffraction of Electromagnetic Radiation: An Effective Probe to Material Structure
Scattered electromagnetic waves from material bodies of different forms contain, in an intricate way, precise information on the intrinsic, geometrical and physical properties of the objects. Scattering theories, ever deepening, aim to provide dependable interpretation and prediction to the complicated interaction of electromagnetic radiation with matter. There are well-established multiple-scattering formulations based on classical electromagnetic theories. An example is the Generalized Multi-particle Mie-solution (GMM), which has recently been extended to a special version ̶ the GMM-PA approach, applicable to finite periodic arrays consisting of a huge number (e.g., >>106) of identical scattering centers [1]. The framework of the GMM-PA is nearly complete. When the size of the constituent unit scatterers becomes considerably small in comparison with incident wavelength, an appropriate array of such small element volumes may well be a satisfactory representation of a material entity having an arbitrary structure. X-ray diffraction is a powerful characterization tool used in a variety of scientific and technical fields, including material science. A diffraction pattern is nothing more than the spatial distribution of scattered intensity, determined by the distribution of scattering matter by way of its Fourier transform [1]. Since all linear dimensions entered into Maxwell's equations are normalized by wavelength, an analogy exists between optical and X-ray diffraction patterns. A large set of optical diffraction patterns experimentally obtained can be found in the literature [e.g., 2,3]. Theoretical results from the GMM-PA have been scrutinized using a large collection of publically accessible, experimentally obtained Fraunhofer diffraction patterns. As far as characteristic structures of the patterns are concerned, theoretical and experimental results are in uniform agreement; no exception has been found so far. Closely connected with the spatial distribution of scattered intensities are cross sections, such as for extinction, scattering, absorption, and radiation pressure, as a critical type of key quantity addressed in most theoretical and experimental studies of radiative scattering. Cross sections predicted from different scattering theories are supposed to be in general agreement. For objects of irregular shape, the GMM-PA solutions can be compared with the highly flexible Discrete Dipole Approximation (DDA) [4,5] when dividing a target to no more than ~106 unit cells. Also, there are different ways to calculate the cross sections in the GMM-PA, providing an additional means to examine the accuracy of the numerical solutions and to unveil potential issues concerning the theoretical formulations and numerical aspects. To solve multiple scattering by an assembly of material volumes through classical theories such as the GMM-PA, the radiative properties of the component scatterers, the complex refractive index in particular, must be provided as input parameters. When using a PA to characterize a material body, this involves the use of an adequate theoretical tool, an effective medium theory, to connect Maxwell's phenomenogical theory with the atomistic theory of matter. In the atomic theory, one regards matter as composed of interacting particles (atoms and molecules) embedded in the vacuum [6]. However, the radiative properties of atomic-scaled particles are known to be substantially different from bulk materials. Intensive research efforts in the fields of cluster science and nanoscience attempt to bridge the gap between bulk and atom and to understand the transition from classical to quantum physics. The GMM-PA calculations, which place virtually no restriction on the component-particle size, might help to gain certain insight into the transition.
Xu, Yu-Lin↗
Thermospheric meridional winds and atomic oxygen depletion at high latitudes
Rocket vapor trail measurements of the properties of the high latitude wind system are compared with Ogo 6 measurements, the atomic densities being studied as a function of geomagnetic local time at three seasons for three ranges of magnetic activity. It is found that the atomic oxygen densities at altitudes in the region of 120 km are about 35% lower in the post-midnight sector than in the afternoon and evening sectors, decrease with increasing magnetic activity, and are lower in summer than in winter. The variations are related to vertical velocities in the 95-150 km altitude range and to the meridional fluxes at 70 deg geomagnetic latitude. The upward average vertical velocity of atomic oxygen in the region poleward of 70 deg is calculated to be of the order of 0.3 m/s at 120 km and the energy transported by the winds out of this region is calculated to be of the order of 10 to the 10th W for Kp levels of 2.
Nisbet, J. S.↗
Effects of Contamination, UV Radiation, and Atomic Oxygen on ISS Thermal Control Materials
Thermal control surfaces on the International Space Station (ISS) have been tailored for optimum optical properties. The space environment, particularly contamination, ultraviolet (UV) radiation, and atomic oxygen (AO) may have a detrimental effect on these optical properties. These effects must be quantified for modeling and planning. Also of interest was the effect of porosity on the reaction to simulated space environment. Five materials were chosen for this study based on their use on ISS. The thermal control materials were Z-93 white coating, silverized Teflon, chromic acid anodized aluminum, sulfuric acid anodized aluminum, and 7075-T6 aluminum. Some of the samples were exposed to RTV 560 silicone; others were exposed to Tefzel offgassing products. Two samples of Z-93 were not exposed to contamination as clean "controls". VUV radiation was used to photo-fix the contaminant to the material surface, then the samples were exposed to AO. All samples were exposed to 1000 equivalent sun-hours (ESH) of vacuum ultraviolet radiation (VUV) at the AZ Technology facility and a minimum of 1.5 x 10(exp 20) atoms/sq cm of AO at Marshall Space Flight Center. Half of the samples were exposed to an additional 2000 ESH of VUV at Huntington Beach prior to sent to AZ Technology. Darkening of the Z-93 white coating was noted after VUV exposure. AO exposure did bleach the Z-93 but not back to its original brightness. Solar absorptance curves show the degradation due to contamination and VUV and the recovery with AO exposure. More bleaching was noted on the Tefzel-contaminated samples than with the RTV-contaminated samples.
Visentine, Jim↗
A global ab initio potential for HCN/HNC, exact vibrational energies, and comparison to experiment
An ab initio (i.e., from first principles) calculation of vibrational energies of HCN and HNC is reported. The vibrational calculations were done with a new potential derived from a fit to 1124 ab initio electronic energies which were calculated using the highly accurate CCSD(T) coupled-cluster method in conjunction with a large atomic natural orbital basis set. The properties of this potential are presented, and the vibrational calculations are compared to experiment for 54 vibrational transitions, 39 of which are for zero total angular momentum, J = 0, and 15 of which are for J = 1. The level of agreement with experiment is unprecedented for a triatomic with two nonhydrogen atoms, and demonstrates the capability of the latest computational methods to give reliable predictions on a strongly bound triatomic molecule at very high levels of vibrational excitation.
Bentley, Joseph A.↗
Proposed test program and data base for LDEF polymer matrix composites
A survey of the polymer matrix composite materials that were flown on Long Duration Exposure Facility (LDEF) is presented with particular attention to the effect of circumferential location (alpha) on the measured degradation and property changes. Specifically, it is known that atomic oxygen fluence (AO), VUV radiation dose, and number of impacts by micrometeoroids/debris vary with alpha. Thus, it is possible to assess material degradation and property damage changes with alpha for those materials that are common to three or more locations. Once the alpha-dependence functions were defined, other material samples will provide data that can readily be used to predict damage and property changes as a function of alpha as well. What data can be realistically obtained from these materials, how this data can be obtained, and the scientific/design value of the data to the user community is summarized. Finally, a proposed test plan is presented with recommended characterization methodologies that should be employed by all investigators to ensure consistency in the data base that will result from this exercise.
Tennyson, R. C.↗
Cryogenic and Simulated Fuel Jet Breakup in Argon, Helium and Nitrogen Gas Flows
Two-phase flow atomization of liquid nitrogen jets was experimentally investigated. They were co-axially injected into high-velocity gas flows of helium, nitrogen and argon, respectively, and atomized internally inside a two-fluid fuel nozzle. Cryogenic sprays with relatively high specific surface areas were produced, i.e., ratios of surface area to volume were fairly high. This was indicated by values of reciprocal Sauter mean diameters, RSMD's, as measured with a scattered- light scanning instrument developed at NASA Lewis Research Center. Correlating expressions were derived for the three atomizing gases over a gas temperature range of 111 to 422 K. Also, the correlation was extended to include waterjet breakup data that had been previously obtained in simulating fuel jet breakup in sonic velocity gas flow. The final correlating expression included a new dimensionless molecular-scale acceleration group. It was needed to correlate RSMD data, for LN2 and H2O sprays, with the fluid properties of the liquid jets and atomizing gases used in this investigation.
Ingebo, Robert D.↗
The influence of flowing afterglow exposure on the degradation of various polymeric materials
Changes in polymer properties which result after exposure to an atomic oxygen-rich environment of a flowing afterglow are presented. Dynamic mechanical and Fourier Transform Infrared (FTIR) spectra as well as scanning electron microscopy micrographs were employed to monitor variations in mechanical properties and chemical and physical structure. Polymers analyzed include polystyrene, PEKK, and a polyester.
Letton, Alan↗
Disordering and H-embrittlement of Pb(110) surface using embedded atom method and molecular dynamics
The dynamics and structure of the crystal melt interface are of great importance in crystal growth, melting, and other properties of the solid-liquid interface. The Embedded Atom Method (EAM), a semiempirical method developed by Daw and Baskes for determining the energetics of atoms in a bulk environment, is a useful method in the computer simulation. The EAM functions of PB in conjunction with the MD code are employed to study melting and disordering of the Pb(100) surface. The EAM functions are fitted to the bulk experimental data at zero temperature, and it is not clear if it will behave correctly at higher temperatures. In fact, it is shown that use of a similar type of potential at higher temperatures might result in a negative coefficient of thermal expansion. The primary purpose here is to perform MD simulation combined with the EAM functions of PB to study melting of the Pb(100) surface. This provides an accurate test of the EAM functions at higher temperatures. In particular, we calculate the two dimensional structure factor, the two dimensional distribution function, and density profile as a function of temperature up to the melting point of lead.
Karimi, Majid↗
Potential Energy Curves and Collisions Integrals of Air Components: Interactions Involving Ionized Atoms - 2
Collision integrals are fundamental quantities required to determine the transport properties of the environment surrounding aerospace vehicles in the upper atmosphere. These collision integrals can be determined as a function of temperature from the potential energy curves describing the atomic and molecular collisions. Ab initio calculations provide a practical method of computing the required interaction potentials. In this work we will discuss recent advances in scattering calculations with an emphasis on the accuracy that is obtainable. Results for interactions of the atoms and ionized atoms of nitrogen and oxygen will be reviewed and their application to the determination of transport properties, such as diffusion and viscosity coefficients, will be examined.
Stallcop, James R.↗