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Full-Text Articles in Condensed Matter Physics
Compositional Short-Range Ordering In Metallic Alloys: Band-Filling, Charge-Transfer, And Size Effects From A First-Principles All-Electron Landau-Type Theory, J. B. Staunton, Duane D. Johnson, F. J. Pinski
Compositional Short-Range Ordering In Metallic Alloys: Band-Filling, Charge-Transfer, And Size Effects From A First-Principles All-Electron Landau-Type Theory, J. B. Staunton, Duane D. Johnson, F. J. Pinski
Duane D. Johnson
Using a mean-field statistical description, we derive a general formalism to investigate atomic short-range order in alloys based on a density-functional description of the finite-temperature, grand potential of the random alloy. This ‘‘first-principles,’’ Landau-type approach attempts to treat several contributions (electronic structure, Fermi surface, electrostatics, magnetism, etc.) to the electronic energy on an equal footing. An important ingredient for the statistical averaging is the replacement of the molecular mean fields (Weiss fields) with Onsager cavity fields, which forces the diagonal part of the fluctuation-dissipation theorem to be obeyed. To show its general applicability and usefulness, we apply the theory to …
First-Principles All-Electron Theory Of Atomic Short-Range Ordering In Metallic Alloys: D022- Versus L12-Like Correlations, Duane D. Johnson, J. B. Staunton, F. J. Pinski
First-Principles All-Electron Theory Of Atomic Short-Range Ordering In Metallic Alloys: D022- Versus L12-Like Correlations, Duane D. Johnson, J. B. Staunton, F. J. Pinski
Duane D. Johnson
We use a ‘‘first-principles’’ concentration-wave approach based on a finite-temperature, electronic density-functional, mean-field, grand potential of the random alloy to investigate the high-temperature atomic short-range order (ASRO) in Ni75V25 and Pd75V25 solid solutions. Experimentally, these similar alloys both develop D022-type long-range order at low temperatures but different ASRO at high temperatures. Our calculations describe the measured ASRO well. We compare these results with those found for a hypothetical Co75Ti25 solid solution. Since this alloy orders directly from the melt into the L12 phase, it should exhibit strong L12-like ASRO, as we find in our calculations. We analyze the features in …
Surface-Induced Ordering In Asymmetric Block Copolymers, Y. Liu, W. Zhao, X. Zheng, Alexander H. King, A. Sing, M. H. Rafailovich, J. Sokolov, K. H. Dai, E. J. Kramer, S. A. Schwarz, O. Gebizlioglu, S. K. Sinha
Surface-Induced Ordering In Asymmetric Block Copolymers, Y. Liu, W. Zhao, X. Zheng, Alexander H. King, A. Sing, M. H. Rafailovich, J. Sokolov, K. H. Dai, E. J. Kramer, S. A. Schwarz, O. Gebizlioglu, S. K. Sinha
Alexander H. King
The surface-induced ordering in thin films of asymmetric deuterated polystyrene (dPS)- poly(viny1pyridine) (PVP) diblock and triblock copolymers of comparable polymerization index and PVP volume fraction - 0.25) was studied using transmission electron microscopy, atomic force microscopy, secondary ion massspectrometry, and neutron reflectivity. The morphology of both di- and triblock copolymer films was found to be cylindrical except for the layer adjacent to the silicon oxide surface, which due to the strong interaction of silica with PVP, was lamellar. The spacing between adjacent cylindrical layers was found to be consistent with mean field theory predictions. In the triblock copolymer films the …
Models For Water Outgassing From Metal Surfaces, Minxu Li
Models For Water Outgassing From Metal Surfaces, Minxu Li
Dissertations, Theses, and Masters Projects
In this study, the outgassing rate from an electropolished stainless steel surface following exposures to H{dollar}\sb2{dollar}O vapor under various conditions was measured. The results of the experiments showed that the outgassing rate is proportional to {dollar}p\sb0\sp{lcub}n{rcub}{dollar}, where {dollar}p\sb0{dollar} is the H{dollar}\sb2{dollar}O exposure pressure and n is about 0.25. The outgassing rate is not as strongly dependent on the system temperature as one would expect if the temperature is kept the same during exposure and pump-down. The outgassing rate is also a function of the exposure time for the first several hours of exposure, indicating that the adsorption saturation time is …
Reflection High-Energy Electron-Diffraction Study Of Surface Disorder And Anomalous Expansion Of Pb(100), D. Tang, H. E. Elsayed-Ali
Reflection High-Energy Electron-Diffraction Study Of Surface Disorder And Anomalous Expansion Of Pb(100), D. Tang, H. E. Elsayed-Ali
Electrical & Computer Engineering Faculty Publications
The temperature-dependent surface structural behavior of Pb(100) is studied using reflection high-energy electron diffraction. Anomalous surface expansion for temperatures between room temperature to about 500 K is observed. A high density of surface vacancies appears at temperatures above ~ 500 K. © 1994 The American Physical Society.