Intermolecular potential parameters and combining rules determined from viscosity data (open access)

Intermolecular potential parameters and combining rules determined from viscosity data

The Law of Corresponding States has been demonstrated for a number of pure substances and binary mixtures, and provides evidence that the transport properties viscosity and diffusion can be determined from a molecular shape function, often taken to be a Lennard-Jones 12-6 potential, that requires two scaling parameters: a well depth {var_epsilon}{sub ij} and a collision diameter {sigma}{sub ij}, both of which depend on the interacting species i and j. We obtain estimates for {var_epsilon}{sub ij} and {sigma}{sub ij} of interacting species by finding the values that provide the best fit to viscosity data for binary mixtures, and compare these to calculated parameters using several 'combining rules' that have been suggested for determining parameter values for binary collisions from parameter values that describe collisions of like molecules. Different combining rules give different values for {sigma}{sub ij} and {var_epsilon}{sub ij} and for some mixtures the differences between these values and the best-fit parameter values are rather large. There is a curve in ({var_epsilon}{sub ij}, {sigma}{sub ij}) space such that parameter values on the curve generate a calculated viscosity in good agreement with measurements for a pure gas or a binary mixture. The various combining rules produce couples of parameters {var_epsilon}{sub ij}, …
Date: May 7, 2010
Creator: Bastien, Lucas A.J.; Price, Phillip N. & Brown, Nancy J.
Object Type: Article
System: The UNT Digital Library
Establishing Natural Product Content with the Natural Radiocarbon Signature (open access)

Establishing Natural Product Content with the Natural Radiocarbon Signature

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Date: May 7, 2010
Creator: Buchholz, B. A.; Sarachine, M. J. & Zermeno, P.
Object Type: Book
System: The UNT Digital Library
Uncertainty Analysis Technique for OMEGA Dante Measurements (open access)

Uncertainty Analysis Technique for OMEGA Dante Measurements

The Dante is an 18 channel X-ray filtered diode array which records the spectrally and temporally resolved radiation flux from various targets (e.g. hohlraums, etc.) at X-ray energies between 50 eV to 10 keV. It is a main diagnostics installed on the OMEGA laser facility at the Laboratory for Laser Energetics, University of Rochester. The absolute flux is determined from the photometric calibration of the X-ray diodes, filters and mirrors and an unfold algorithm. Understanding the errors on this absolute measurement is critical for understanding hohlraum energetic physics. We present a new method for quantifying the uncertainties on the determined flux using a Monte-Carlo parameter variation technique. This technique combines the uncertainties in both the unfold algorithm and the error from the absolute calibration of each channel into a one sigma Gaussian error function. One thousand test voltage sets are created using these error functions and processed by the unfold algorithm to produce individual spectra and fluxes. Statistical methods are applied to the resultant set of fluxes to estimate error bars on the measurements.
Date: May 7, 2010
Creator: May, M J; Widmann, K; Sorce, C; Park, H & Schneider, M
Object Type: Article
System: The UNT Digital Library
High Density Nano-Electrode Array for Radiation Detection (open access)

High Density Nano-Electrode Array for Radiation Detection

Bulk single crystals of Cd1-xZnxTe (x=0.04 to x=0.2) compound semiconductor is used for room temperature radiation detection. The production of large volume of Cd1-xZnxTe with low defect density is expensive. As a result there is a growing research interest in the production of nanostructured compound semiconductors such as Cd1-xZnxTe in an electrochemical route. In this investigation, Cd1-xZnxTe ternary compound semiconductor, referred as CZT, was electrodeposited in the form of nanowires onto a TiO2 nanotubular template from propylene carbonate as the non-aqueous electrolyte, using a pulse-reverse electrodeposition process at 130 ºC. The template acted as a support in growing ordered nanowire of CZT which acts as a one dimensional conductor. Cyclic Voltammogram (CV) studies were conducted in determining the potentials for the growth of nanowires of uniform stoichiometry. The morphologies and composition of CZT were characterized by using SEM, TEM and XRD. The STEM mapping carried out on the nanowires showed the uniform distribution of Cd, Zn and Te elements. TEM image showed that the nanowires were polycrystalline in nature. The Mott-Schottky analysis carried on the nanowires showed that the nanowires were a p-type semiconductor. The carrier density, band gap and resistivity of the Cd0.9Zn0.1Te nanowires were 4.29x1013 cm-3, 1.56 eV …
Date: May 7, 2010
Creator: Misra, Mano
Object Type: Report
System: The UNT Digital Library
Predicting Image Blur in Proton Radiography: Comparisons Between Measurements and Monte Carlo Simulations (open access)

Predicting Image Blur in Proton Radiography: Comparisons Between Measurements and Monte Carlo Simulations

Given the cost and lead-times involved in high-energy proton radiography, it is prudent to model proposed radiographic experiments to see if the images predicted would return useful information. We recently modified our raytracing transmission radiography modeling code HADES to perform simplified Monte Carlo simulations of the transport of protons in a proton radiography beamline. Beamline objects include the initial diffuser, vacuum magnetic fields, windows, angle-selecting collimators, and objects described as distorted 2D (planar or cylindrical) meshes or as distorted 3D hexahedral meshes. We present an overview of the algorithms used for the modeling and code timings for simulations through typical 2D and 3D meshes. We next calculate expected changes in image blur as scattering materials are placed upstream and downstream of a resolution test object (a 3 mm thick sheet of tantalum, into which 0.4 mm wide slits have been cut), and as the current supplied to the focusing magnets is varied. We compare and contrast the resulting simulations with the results of measurements obtained at the 800 MeV Los Alamos LANSCE Line-C proton radiography facility.
Date: May 7, 2010
Creator: Schach von Wittenau, Alexis E.; Aufderheide, Maurice B., III & Henderson, Gary L.
Object Type: Article
System: The UNT Digital Library