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Full-Text Articles in Physics
First-Principles Study Of Phase Stability In Cu-Zn Substitutional Alloys, P. E. A. Turchi, M. Sluiter, F. J. Pinski, Duane D. Johnson, D. M. Nicholson, G. M. Stocks, J. B. Staunton
First-Principles Study Of Phase Stability In Cu-Zn Substitutional Alloys, P. E. A. Turchi, M. Sluiter, F. J. Pinski, Duane D. Johnson, D. M. Nicholson, G. M. Stocks, J. B. Staunton
Duane D. Johnson
A parameter-free approach to phase stability in Cu-Zn substitutional alloys is shown to describe order-disorder phenomena and structural transformations with remarkable accuracy. The method is based on a multiple-scattering description of the electronic structure properties of the random alloy. Configurational order is treated within the generalized perturbation method and the concentration-functional theory. Thermodynamical properties of α and β brasses are derived from the cluster variation method. This advanced scheme is of general validity and is expected to yield similarly accurate results for other Hume-Rothery alloys.
33rd Rocky Mountain Conference On Applied Spectroscopy
33rd Rocky Mountain Conference On Applied Spectroscopy
Rocky Mountain Conference on Magnetic Resonance
Program and registration information for the 33rd annual meeting of the Rocky Mountain Conference on Applied Spectroscopy, sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Denver, Colorado, July 28 - August 1, 1991.
Removal Of Chlorine From Chlorine-Nitrogen Mixture In A Film Of Liquid Water, Sarwan S. Sandhu
Removal Of Chlorine From Chlorine-Nitrogen Mixture In A Film Of Liquid Water, Sarwan S. Sandhu
Chemical and Materials Engineering Faculty Publications
In industry there are many examples of absorption of a gas with or without chemical reaction in the liquid phase. In physical absorption, a particular gaseous component is removed from a gas mixture due to its larger solubility in the liquid phase solvent. The removal of butane and pentane from a refinery gas mixture by a heavy oil in the liquid phase is an example of physical absorption. In absorption with chemical reaction, the gaseous component to be removed transfers across the gas-liquid interface due to a difference in the bulk chemical potentials or concentrations in the two phases. The …
Transport Processes And Traveling Waves In Systems With Local Nonequilibrium, Sergey Sobolev
Transport Processes And Traveling Waves In Systems With Local Nonequilibrium, Sergey Sobolev
Sergey Sobolev
No abstract provided.
Origins Of Compositional Order In Nipt Alloys, F. J. Pinski, B. Ginatempo, Duane D. Johnson, J. B. Staunton, G. M. Stocks, B. L. Gyorffy
Origins Of Compositional Order In Nipt Alloys, F. J. Pinski, B. Ginatempo, Duane D. Johnson, J. B. Staunton, G. M. Stocks, B. L. Gyorffy
Duane D. Johnson
We investigate the cause of compositional ordering in fcc Ni0.50Pt0.50 on the basis of a first-principles theory of electronic structure and finite-temperature concentration fluctuations. We treat the size effect, electronegativity, and band filling on an equal footing and find that the first of these dominates, leading to L10 ordering in agreement with experiment. An electronic origin is given for the metallurgical ‘‘rule of thumb’’ that alloys comprised of big atoms and little atoms tend to order into simple stuctures.
The Interaction Between Dislocations And Intergranular Cracks, H. Zhang, Alexander H. King, R. Thomson
The Interaction Between Dislocations And Intergranular Cracks, H. Zhang, Alexander H. King, R. Thomson
Alexander H. King
The elastic interactions of dislocations and intergranular cracks in isotropic materials have been studied. In the first part of the paper, a model based on the Rice–Thomson theory is established under which the conditions for dislocation emission and crack propagation can be described in terms of an emission surface, cleavage surface, and loading line in the local k-space associated with a mixed mode intergranular crack. For a given crack, the local k-field changes with the emission of dislocations from the crack tip, which alters the balance of cleavage and emission. In the second part, we present experimental results of in …
Effects Of Sample Orientation On The Corrosion Of Zinc In Ammonium Sulfate And Sodium Hydroxide Solutions, D. Abayarathna, Edward Boyd Hale, Thomas J. O'Keefe, Y. M. Wang, D. Radovic
Effects Of Sample Orientation On The Corrosion Of Zinc In Ammonium Sulfate And Sodium Hydroxide Solutions, D. Abayarathna, Edward Boyd Hale, Thomas J. O'Keefe, Y. M. Wang, D. Radovic
Physics Faculty Research & Creative Works
The corrosion and electrochemical properties of three zinc single crystal surfaces with different orientations have been investigated. In near-neutral 1 M (NH4)2SO4, the corrosion rates on all three surfaces were found to be similar. However, the SEM morphologies of the corresponding corroded surfaces were markedly different from each other, but consistent with preferential attack of {1120} surfaces. In alkaline 0.5 N NaOH solution, the three sample orientations showed significantly different reactivities, with the (1120) surface exhibiting the highest reactivity and corrosion rate. Here, passivation ultimately occurred and the difference in the corrosion performance of …
The Slater–Pauling Curve: First Principles Calculations Of The Moments Of Fe1 − C Ni C And V1 − C Fe C, Duane Johnson, F. Pinski, J. Staunton
The Slater–Pauling Curve: First Principles Calculations Of The Moments Of Fe1 − C Ni C And V1 − C Fe C, Duane Johnson, F. Pinski, J. Staunton
Duane D. Johnson
We have performed calculations of the electronic structure of the random substitutional alloys Fe1−c Ni c and V1−c Fe c using the spin‐polarized, self‐consistent Korringa–Kohn–Rostoker coherent‐potential approximation (KKR‐CPA) method. This is a first principles method based on spin density functionaltheory and a local spin density approximation for the exchange and correlation functional. For fcc Fe1−c Ni c , a range of volumes were considered for 0.25
Electrical Conductivity, Seebeck Coefficient And Defect Chemistry Of Ca-Doped Ycro3, G. F. Carini, Harlan U. Anderson, Don M. Sparlin, M. M. Nasrallah
Electrical Conductivity, Seebeck Coefficient And Defect Chemistry Of Ca-Doped Ycro3, G. F. Carini, Harlan U. Anderson, Don M. Sparlin, M. M. Nasrallah
Materials Science and Engineering Faculty Research & Creative Works
The electrical transport behavior and defect structure of Ca-doped YCrO3 were studied using electrical conductivity and Seebeck coefficient measurements as a function of oxygen activity and temperature. Defect models derived from the electrical conductivity data were found to adequately relate the concentration of charge carriers to the acceptor dopant and oxygen vacancy concentrations. Thermodynamic properties were calculated and found to be consistent with the model. Activation energy and carrier mobility data were also obtained. The analysis of the electrical conductivity, Seebeck and mobility data suggest that the conduction process in Ca-doped YCrO3 occurs via the small polaron hopping …
Defect Structure, Nonstoichiometry, And Phase Stability Of Ca-Doped Ycro3, G. F. Carini, Harlan U. Anderson, M. M. Nasrallah, Don M. Sparlin
Defect Structure, Nonstoichiometry, And Phase Stability Of Ca-Doped Ycro3, G. F. Carini, Harlan U. Anderson, M. M. Nasrallah, Don M. Sparlin
Materials Science and Engineering Faculty Research & Creative Works
The dependence of the defect structure of Ca-doped YCrO3 on oxygen activity and temperature was investigated by high temperature thermogravimetric measurements. Defect models developed from electrical conductivity data obtained in a previous study were used to interpret the thermogravimetric data. A correlation was found between the electrical conductivity and the thermogravimetric data which suggested that these data were concomitantly dependent on the acceptor dopant and oxygen vacancy dependance of the thermodynamic parameters. Kröger-Vink type diagrams showing the regions of stability with respect to oxygen activity and temperature were constructed. The TGA data show that Ca-doped YCrO3 is even …
Nuclear Magnetic Resonance Studies Of Amorphous Nickel-Zirconium Hydrides, Harris Clarence Hoke Jr.
Nuclear Magnetic Resonance Studies Of Amorphous Nickel-Zirconium Hydrides, Harris Clarence Hoke Jr.
Dissertations, Theses, and Masters Projects
This research deals with one aspect of the scientific field of hydrogen in metals. The study of hydrogen in metals is technologically important for many reasons, among them is the use of hydrogen in metals to store energy. Hydrogen related energy technology is particularly attractive because hydrogen can be extracted from water, our most abundant resource, and can be used without any pollution. Metal hydrides may one day be widely used for automotive propulsion in cars, in batteries, and many other energy conversion devices. Amorphous NiZr is particularly interesting for hydrogen storage because high concentrations of hydrogen can be sorbed …