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NASA NTRS1983

Intercalated graphite electrical conductors

For years NASA has wanted to reduce the weight of spacecraft and aircraft. Experiments are conducted to find a lightweight synthetic metal to replace copper. The subject of this paper, intercalated graphite, is such a material. Intercalated graphite is made by heating petroleum or coal to remove the hydrogen and to form more covalent bonds, thus increasing the molecular weight. The coal or petroleum eventually turns to pitch, which can then be drawn into a fiber. With continued heating the pitch-based fiber releases hydrogen and forms a carbon fiber. The carbon fiber, if heated sufficiently, becomes more organized in parallel layers of hexagonally arranged carbon atoms in the form of graphite. A conductor of intercalated graphite is potentially useful for spacecraft or aircraft applications because of its low weight.

Banks, B. A.↗

NASA NTRS1984

Mean excitation energies for stopping powers in various materials using local plasma oscillator strengths

The basic model of Lindhard and Scharff, known as the local plasma model, is used to study the effects on stopping power of the chemical and physical state of the medium. Unlike previous work with the local plasma model, in which individual electron shifts in the plasma frequency were estimated empirically, he Pines correction derived for a degenerate Fermi gas is shown herein to provide a reasonable estimate, even on the atomic scale. Thus, the model is moved to a complete theoretical base requiring no empirical adjustments, as characteristic of past applications. The principal remaining error is in the overestimation of the low-energy absorption properties that are characteristic of the plasma model in the region of the atomic discrete spectrum, although higher-energy phenomena are accurately represented, and even excitation-to-ionization ratios are given to fair accuracy. Mean excitation energies for covalent-bonded gases and solids, for ionic gases and crystals, and for metals are calculated using first-order models of the bonded states.

Wilson, J. W.↗

NASA NTRS1984

Metallic Adhesion and Bonding

Although metallic adhesion has played a central part in much tribological speculation, few quantitative theoretical calculations are available. This is in part because of the difficulties involved in such calculations and in part because the theoretical physics community is not particularly involved with tribology. The calculations currently involved in metallic adhesion are summarized and shown that these can be generalized into a scaled universal relationship. Relationships exist to other types of covalent bonding, such as cohesive, chemisorptive, and molecular bonding. A simple relationship between surface energy and cohesive energy is offered.

Ferrante, J.↗

NASA NTRS1982

Some characteristics of polymers in composite materials and as electrical conductors

The characteristics of carbon fibers (CF) made from polyacrylonitrile (PAN) materials are discussed, together with research on conducting polymers. CF materials have better mechanical properties, chemical inertness, and higher stiffness than metallic materials but are subject to environmental instability, flammability, and delamination fatigue. Polymerization procedures for the monopolymer PAN are described, noting the use of SEM and X-ray diffraction techniques for studying the fiber structure. High modulus and strength of CF are caused by covalent sp(2) bonds in hexagonal carbon rings, which are stronger than the same links in diamonds. Details of the molecular chain structures and macroformations, stress-strain as a function of temperature, and thermosetting and glass transition temperatures of polymers are provided. Computational quantum chemistry techniques are being applied to studying electrical conductance in polymers, mainly to discover ways to stabilize the materials. Doped CH(x) has exhibited photovoltaic properties and other polymers have become superconductors at cryogenic temperatures.

Hansen, C. F.↗

NASA NTRS1984

Mean excitation energies for stopping powers in various materials composed of elements hydrogen through argon

The local plasma model is used to study the effects of the chemical and physical state of a medium on its stopping power. The relationship between that model and a more exact quantum treatment of bound systems is elucidated by examining related quantities in both theories for the case of one and two-electron systems. Atomic mean excitation energies and straggling parameters in the local plasma model are compared with the accurate calculations of Inokuti et al. (1975, 1978, 1981). The use of the Gordon-Kim electron gas model of molecular bonding is used to determine the effects of covalent chemical bond shifts on the mean excitation energies for elements of the first two rows. Calculations of mean excitation energies of ionic bonded substances are presented, and the mean excitation energies of metals are discussed.

Wilson, J. W.↗

NASA NTRS1985

On the similarity of the bonding in NiS and NiO

The bonding in NiS is found to be quite similar to that in NiO, having an ionic contribution arising from the donation of the Ni 4s electron to the S atom and a covalent component arising from bonds between the Ni 3d and the S 3p. The one-electron d bonds are found to be of equal strength for NiO and NiS, but the two-electron d bonds are weaker for NiS.

Bauschlicher, C. W., Jr.↗

NASA NTRS1985

pH profile of the adsorption of nucleotides onto montmorillonite. II - Adsorption and desorption of 5-prime-AMP in iron-calcium montmorillonite systems

The interaction of 5-prime-AMP with montmorillonite saturated with various ratios of two metals found ubiquitously on the surface of earth, that is, iron and calcium, is investigated. Adsorption and desorption of the nucleotide were studied in the pH range of 2-12 at three levels of addition: 0.080, 0.268 and 0.803 mmole 5-prime-AMP per gram of clay. Two desorption stages were employed - H2O wash and NaOH extraction (pH = 12.0). 5-prime-AMP was preferentially adsorbed on the Fe-containing clays relative to the Ca clay. The nucleotide was fully recovered by the two desorption stages, mostly by the NaOH extraction. The evidence at hand indicates that 5-prime-AMP reaction with clay is affected by electrostatic interactions involving both attraction and repulsion forces. Some specific adsorption, possibly the result of covalent bonding and complex formation with the adsorbed ion, cannot be ruled out for iron but does not appear to operate for calcium. Changes in pH cause varying degrees of attaction and repulsion of 5-prime-AMP and may have been operating on the primitive earth, leading to sequences of adsorption and release of this biomolecule.

Banin, A.↗

NASA NTRS1984

Separation of aqueous two-phase polymer systems in microgravity

Phase separation of polymer systems in microgravity is studied in aircraft flights to prepare shuttle experiments. Short duration (20 sec) experiments demonstrate that phase separation proceeds rapidly in low gravity despite appreciable phase viscosities and low liquid interfacial tensions (i.e., 50 cP, 10 micro N/m). Ostwald ripening does not appear to be a satisfactory model for the phase separation mechanism. Polymer coated surfaces are evaluated as a means to localize phases separated in low gravity. Contact angle measurements demonstrate that covalently coupling dextran or PEG to glass drastically alters the 1-g wall wetting behavior of the phases in dextran-PEG two phase systems.

Vanalstine, J. M.↗

NASA NTRS1986

On the sintering of silicon carbide

This document deals with the sintering of silicon carbide using pressureless sintering. This technique makes it possible to sinter a primarily covalent material to usable densities up to over 98% thD without having to use a high amount of sinter additives as is the case with other non-oxide ceramic materials. The process takes place rapidly, and it is also possible to produce relatively thick-walled structural parts without major problems. This sheds more light on the true characteristics of silicon carbide in one structural part, since there is no second or nearly no second phase. Heat pressing has improved stability.

Gugel, E.↗

NASA NTRS1986

Universality in the compressive behavior of solids

It was discovered that the isothermal equation of state for solids in compression is a simple, universal form. This single form accurately describes the pressure and bulk modulus as a function of volume for tonic, metallic, covalent, and rare gas solids.

Vinet, P.↗

NASA NTRS1985

Computer-aided design of polymers and composites

This book on computer-aided design of polymers and composites introduces and discusses the subject from the viewpoint of atomic and molecular models. Thus, the origins of stiffness, strength, extensibility, and fracture toughness in composite materials can be analyzed directly in terms of chemical composition and molecular structure. Aspects of polymer composite reliability are considered along with characterization techniques for composite reliability, relations between atomic and molecular properties, computer aided design and manufacture, polymer CAD/CAM models, and composite CAD/CAM models. Attention is given to multiphase structural adhesives, fibrous composite reliability, metal joint reliability, polymer physical states and transitions, chemical quality assurance, processability testing, cure monitoring and management, nondestructive evaluation (NDE), surface NDE, elementary properties, ionic-covalent bonding, molecular analysis, acid-base interactions, the manufacturing science, and peel mechanics.

Kaelble, D. H.↗

NASA NTRS1986

Presence, segregation and reactivity of H, C and N dissolved in some refractory oxides

The sources of impurities, particularly carbon, in high melting oxides and silicates are discussed, along with detection and quantification methods. The impurities are important for their effects on bulk material properties through the media of, e.g., surface or grain boundary characteristics. The impurities are usually encountered by the contact of the oxide (refractory) material with volatiles such as H2O and CO2, which become incorporated in the material and form anion complexes with oxygen acting as a covalent bonded ligand. The specific processes undergone by MgO in assimilating C impurities are delineated, using data obtained with X-ray photoelectron spectroscopy, Auger electron spectroscopy, secondary ion mass spectrometry and nuclear reaction profiling. Finally, maintenance of a supersaturated solid solution with C impurities by space charge control is described as a means of offset impurity effects.

Freund, F.↗

NASA NTRS1986

A comparison of the bonding in Cr(NO)4 and Ni(CO)4

The bonding in Cr(NO)4 is very ionic, with about 1.5 electrons donated from the Cr to the NO 2pi orbitals. There is also a NO sigma donation of about 0.5 electrons to the Cr, yielding a net charge of Cr of about 1. A large MCSCF expansion is needed to describe both the ionic and covalent contributions to the Cr 3d-NO 2pi bonding. This bonding is compared to that in the isoelectronic Ni(CO)4.

Bauschlicher, C. W., Jr.↗

NASA NTRS1986

A universal equation of state for solids

The total energy versus interatomic spacing of ionic, metallic, covalent, and rare-gas solids is examined, and a universal form for pressure as a function of volume for all classes of solids in compression is derived. The relation is shown to hold for pressure-volume data for hydrogen and deuterium, xenon, cesium, molybdenum, sodium chloride, and magnesium oxide.

Vinet, P.↗

NASA NTRS1986

OH-transition metal bonding

The bonding in both CuOH and AgOH has a covalent component that leads to a bent structure. The larger electrostatic stabilization in CuOH leads to a larger D(e) (2.83 eV) compared with AgOH (2.20 eV). Using Ni5OH to model chemisorption of OH on a Ni surface, it is found that OH adsorption in the fourfold hollow of Ni(100) leads to an OH normal to the surface, while adsorption directly above a Ni atom leads to a tilted OH. These qualitative Ni5OH calculations allow for speculation on the observed variation of OH on metal surfaces.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1987

An enzyme immunoassay for rat growth hormone - Applications to the study of growth hormone variants

A sensitive and specific competitive enzyme immunoassay for rat growth hormone (GH) is described and its use in the detection of GH variants is demonstrated. In the present assay, soluble GH and GH adsorbed to a solid-phase support compete for monkey anti-GH antibody binding sites. The immobilized antibody-GH complex is detected and quantified using goat antimonkey immunoglobin G covalently conjugated to horseradish peroxidase. It is noted that the assay can be performed in 27 hours and that sensitivities in the range of 0.19 to 25 ng can be obtained in the region of 10 to 90 percent binding.

Farrington, Marianne A.↗

NASA NTRS1987

The physics of charge separation preceding lightning strokes in thunderclouds

The physics of charge separation preceding lightning strokes in thunderclouds is presented by three types of arguments: An explanation is given for the aggregation of electrical charges of like sign overcoming Coulomb repulsion by attraction due to exchange interaction. The latter is well known in quantum mechanics from the theories of the nuclear bond and the covalent bond. A classical electrostatic model of charge balls of segregated positive and negative charges in the thundercloud is presented. These charge balls can only be maintained in temporarily stable locations by a containing vortex. Because they will be of different sizes and masses, they will stabilize at different altitudes when drag forces are included with the given electrostatic force. The question of how the charges become concentrated again after lightning discharges is approached by means of the collisional Boltzmann transport equation to explain quasi-periodic recharging. It is shown that solutions cannot be separable in both position and time if they are to represent aggregation.

Kyrala, Ali↗

NASA NTRS1987

Improving the interlaminar shear strength of carbon fiber-epoxy composites through carbon fiber bromination

The use of bromine to improve the interlaminar shear strength of PAN-based carbon fibers was investigated. Composite test specimens fabicated from brominated T-300 fibers and a MY720 matrix exhibited on average a 30% improvement in ILSS over their pristine counterparts. Mass, electrical resistivity, density, contact angle, and scanning Auger microscopy results suggested a mechanism in which the bromine was covalently bonded to the surface of the fiber, and this resulted in an increased van der Waal's adhesion between fiber and matrix.

Jaworske, Donald A.↗