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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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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Difference in Icosahedral Short-Range Order in Early and Late Transition Metal Liquids

New short-range order data are presented for equilibrium and undercooled liquids of Ti and Ni. These were obtained from in-situ synchrotron x-ray diffraction measurements of electrostatically-levitated droplets. While the short-range order of liquid Ni is icosahedral, consistent with Frank's hypothesis, significantly distorted icosahedral order is observed in liquid Ti. This is the first experimental observation of distorted icosahedral short-range order in any liquid. although this has been predicted by theoretical studies on atomic clusters.

Lee, G. W.↗
NASA NTRS1977

The phase diagram and transport properties for hydrogen-helium fluid planets

The properties of pure hydrogen and helium are examined, taking into account metallic hydrogen, molecular hydrogen, and the molecular-metallic transition. Metallic hydrogen-helium mixtures are considered along with molecular hydrogen-helium mixtures, the total phase diagram, and minor constituents, including deuterium. The transport properties of the metallic and the molecular phase are also discussed, giving attention to electrical conductivity, thermal conductivity, viscosity, self-diffusion, interdiffusion, radiative opacity, and second-order transport coefficients.

Stevenson, D. J.↗
NASA NTRS1976

The metal to metal interface and its effect on adhesion and friction

The nature of the interface, adhesion and friction properties of noble metals, platinum metals, Group IV (B) metals and transition metals were considered. The surface chemical activity of the noble and platinum metals is shown to effect metal to metal interfaces as does a valance bonding in the transition metals. With the Group IV (B) metals the degree of metallic nature of the elements is shown to effect interfacial behavior. The effect of surface segregation of alloy constituents such as silicon in iron and its influence on the metal to metal interface is discussed. In addition the effect of alloy constituents on changes in bulk properties such as transformations in tin are shown to effect interfacial adhesion and friction behavior.

Buckley, D. H.↗
NASA NTRS1986

Calculated ground state potential surface and excitation energies for the copper trimer

In the context of their relevance to catalysis and to materials science problems, transition metals and transition metal (TM) compounds are currently of considerable interest, and studies have been conducted of the copper trimer, Cu3. The present investigation is concerned with a study of the ground state surface and several groups of excited states in order to improve the understanding of the spectroscopy of Cu3. Differences of the current study from previous investigations are related to an employment of larger basis sets and a more extensive electron correlation. This was done with the objective to obtain a more accurate definition of the ground state surface. Features of the bonding in the copper dimer are considered to obtain a basis for an understanding of the copper trimer. Attention is given to calculational details, the ground state surface, and calculated vertical excitation energies. The results of SCF/SDCI calculations are reported for portions of the ground surface, for two groups of excited states, and for the ionization potential of Cu3.

Walch, S. P.↗
NASA NTRS1989

The binding energies of one and two water molecules to the first transition-row metal positive ions

The bonding of water to the transition metal positive ions is electrostatic in origin. The electrostatic bonding is enhanced by a variety of mechanisms: mixing in 4p character, 4s-3d hybridization, and 4s promotion into the compact 3d orbital. The importance of these effects varies between the different metal ions due to changes in the separation of the metal ion atomic states. Furthermore, the change in the metal-water repulsion when a second water is added also changes the relative importance of the different metal asymptotes. The second water binding energy varies from being 11 kcal/mol smaller than the first for Mn(+) to 3 kcal/mol larger for V(+) and Fe(+).

Rosi, Marzio↗
NASA NTRS1992

Fabrication Of Metal Chloride Cathodes By Sintering

Transition-metal chloride cathodes for use in high-temperature rechargeable sodium batteries prepared by sintering transition-metal powders mixed with sodium chloride. Need for difficult and dangerous chlorination process eliminated. Proportions of transition metal and sodium chloride in mixture adjusted to suit specific requirements. Cathodes integral to sodium/metal-chloride batteries, which have advantages over sodium/sulfur batteries including energy densities, increased safety, reduced material and thermal-management problems, and ease of operation and assembly. Being evaluated for supplying electrical power during peak demand and electric vehicles.

Bugga, Ratnakumar V.↗
NASA NTRS1990

The binding energies of one and two water molecules to the first transition-row metal positive ions. II

The present investigation of H2O's binding energy to transition-metal ions proceeds from the D(2h) structure and bends the two water molecules out of plane. The molecule is constrained to have C(2v) symmetry, so that each water molecule and metal ion lies on a plane. The ground states are bent only for Mn(H2O)2(+) and Zn(H2O)2(+), where only 4s4p hybridization is energetically favorable; 4s4p hybridization reduces repulsion.

Rosi, Marzio↗
NASA NTRS1986

Transition metal-ligand bonding. II

The nature of the bonding of CO, H2O, and NH3 to transition metal atoms is analyzed using the constrained-space-orbital-variation (CSOV) technique. The cooperative effects for Ni(CO)2 are found to be different than those for Ni(H2O)2. The bonding between neutral systems and the positive ions is found to be quite different; NiCO(+) has little pi bonding, while NiCO has strong pi bonding. The positive ion of NiH2O is far more strongly bound than the neutral, while for NiCO the positive ion and neutral are bound by about the same energy.

Bauschlicher, C. W., Jr.↗
NASA NTRS1980

High temperature crystal field spectra of transition metal-bearing minerals - Relevance to remote-sensed spectra of planetary surfaces

It is pointed out that transition metal ions in silicate minerals, glasses, and crystalline and amorphous oxyhydroxides and salts contribute to the visible-near infrared spectral profiles of planetary surfaces. Investigations are conducted to obtain spectral information which might be helpful in the interpretation of the remote-sensed spectra of planetary surfaces. A description is presented of the results of high temperature crystal field spectral measurements of a variety of heated minerals containing Cr(3+), Fe(3+), Fe(++), and Mn(++) ions in different coordination symmetries, taking into account a correlation of the temperature-induced variations with those previously observed for octahedrally coordinated Fe(++)-bearing silicates. The employed experimental methods are also discussed, giving attention to the preparation of the samples, the determination of the absorption spectra, electron microprobe analyses, and the curve fitting procedure.

Parkin, K. M.↗
NASA NTRS1984

Method for the preparation of thin-skinned asymmetric reverse osmosis membranes and products thereof

A method for preparing water insoluble asymmetric membranes from water soluble polymers is discussed. The process involves casting a film of the polymer, partially drying it, and then contacting it with a concentrated solution of a transition metal salt. The transition metal ions render the polymer insoluable and are believed to form a complex with it. Optionally, the polymer is crosslinked with heat or radiation. The most preferred polymer is poly(vinyl alcohol). The most preferred complexing salt is copper sulfate. The process and the metal ion linked membranes are discussed. The membranes are reverse osmosis membranes.

Wydeven, T. J.↗
NASA NTRS1972

Superconductivity in d- and f- band metals; Proceedings of the Conference, University of Rochester, Rochester, N.Y., October 29, 30, 1971.

High critical field measurements are discussed together with the lattice dynamics of transition metals, energy bands for transition metals and compounds, the importance of transverse acoustic phonons in A-15 superconductors, and aspects of electron-phonon coupling in transition metals. Other subjects considered include the superconductivity of Nb3Ga, the transition temperature of transition-metal superconductors, the relation of normal and superconducting properties to the electronic density of states, and questions of the superconductivity of various ternary thorium compounds. Individual items are abstracted in this issue.

Douglass, D. H.↗