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Articles 1 - 5 of 5
Full-Text Articles in Physics
Diode Properties Of Nanotube Networks, David D. Allred, Bryan Hicks, Stephanie Getty
Diode Properties Of Nanotube Networks, David D. Allred, Bryan Hicks, Stephanie Getty
Faculty Publications
Single-walled carbon nanotubes (SWCNT) were prepared using iron catalysts deposited by indirect evaporation on silicon substrate covered with 500 nm-thick thermal oxide. Diode SWCNT devices have been fabricated using Au and Al, as the asymmetric metal contacts, and a random network of metallic and semiconducting nanotubes as the device channel. No effort was made to align the SWCNTs or to eliminate metallic nanotubes in our devices. Asymmetric voltage-current behavior was seen. Current rectification was observed in the source-drain bias range of -3 V to +3 V. Rectification was somewhat surprising since, although metallic tubes are in the minority (~ 1/3), …
Structure Maps For Hcp Metals From First-Principles Calculations, Gus L. W. Hart, Ohad Levy, Stefano Curtarolo
Structure Maps For Hcp Metals From First-Principles Calculations, Gus L. W. Hart, Ohad Levy, Stefano Curtarolo
Faculty Publications
The ability to predict the existence and crystal type of ordered structures of materials from their components is a major challenge of current materials research. Empirical methods use experimental data to construct structure maps and make predictions based on clustering of simple physical parameters. Their usefulness depends on the availability of reliable data over the entire parameter space. Recent development of high-throughput methods opens the possibility to enhance these empirical structure maps by ab initio calculations in regions of the parameter space where the experimental evidence is lacking or not well characterized. In this paper we construct enhanced maps for …
Structure-Property Maps And Optimal Inversion In Configurational Thermodynamics, Gus L. W. Hart, Björn Arnold, Alejandro Díaz Ortiz, Helmut Dosch
Structure-Property Maps And Optimal Inversion In Configurational Thermodynamics, Gus L. W. Hart, Björn Arnold, Alejandro Díaz Ortiz, Helmut Dosch
Faculty Publications
Cluster expansions of first-principles density-functional databases in multicomponent systems are now used as a routine tool for the prediction of zero- and finite-temperature physical properties. The ability of producing large databases of various degrees of accuracy, i.e., high-throughput calculations, makes pertinent the analysis of error propagation during the inversion process. This is a very demanding task as both data and numerical noise have to be treated on equal footing. We have addressed this problem by using an analysis that combines the variational and evolutionary approaches to cluster expansions. Simulated databases were constructed ex professo to sample the configurational space in …
Characterization Of Optical Constants For Uranium From 10 To 47 Nm, Nicole Brimhall, Nicholas Herrick, David D. Allred, R. Steven Turley, Michael Ware, Justin Peatross
Characterization Of Optical Constants For Uranium From 10 To 47 Nm, Nicole Brimhall, Nicholas Herrick, David D. Allred, R. Steven Turley, Michael Ware, Justin Peatross
Faculty Publications
We use a laser high-harmonics-based extreme-ultraviolet (EUV) polarimeter to determine the optical constants of elemental uranium in the wavelength range from 10 to 47 nm. The constants are extracted from the measure ratio of p-polarized to s-polarized reflectance from a thin uranium film deposited in situ. The film thickness is inferred from a spectroscopic ellipsometry measurement of the sample after complete oxidation in room air. Uranium has been used as a high-reflectance material in the EUV. However, difficulties with oxidation prevented its careful characterization previous to this study. We find that measured optical constants for uranium vary significantly from previous …
Ordered Magnesium-Lithium Alloys: First-Principles Predictions, Richard H. Taylor, Gus L. W. Hart, Stefano Curtarolo
Ordered Magnesium-Lithium Alloys: First-Principles Predictions, Richard H. Taylor, Gus L. W. Hart, Stefano Curtarolo
Faculty Publications
Magnesium-lithium (Mg-Li) alloys are among the lightest structural materials. Although considerable work has been done on the Mg-Li system, little is known regarding potential ordered phases. A first and rapid analysis of the system with the high-throughput method reveals an unexpected wealth of potentially stable low-temperature phases. Subsequent cluster expansions constructed for bcc and hcp superstructures extend the analysis and verify our high-throughput results. Of particular interest are those structures with greater than 13 at. % lithium, as they exhibit either partial or complete formation as a cubic structure. Order-disorder transition temperatures are predicted by Monte Carlo simulations to be …