Real-space multiple scattering theory calculations of LEED (low-energy electron diffraction) intensities for stepped surfaces (open access)

Real-space multiple scattering theory calculations of LEED (low-energy electron diffraction) intensities for stepped surfaces

We use a newly developed real-space multiple scattering theory (RS-MST) to calculate low-energy electron diffraction (LEED) intensities from stepped surfaces. In this calculation the electron wavefunctions are expanded in terms of an angular momentum basis, utilizing the property of removal invariance of systems with semi-infinite periodicity. This strongly reduces the dependence of the calculation on the interlayer spacing and thus opens up the possibility of treating more open surfaces. This includes in particular stepped surfaces, to which conventional methods cannot be applied. Applications of the formalism to various stepped surfaces are presented. In particular, the results for Cu(311) and (331) surfaces obtained from both the layer doubling and RS-MST methods are compared. In addition, numerical techniques which can improve the convergence as well as the speed of the RS-MST approach are discussed. 6 refs., 3 figs.
Date: July 25, 1990
Creator: Zhang, X.-G.; Rous, P.J.; Van Hove, M.A. (Lawrence Berkeley Lab., CA (USA)); MacLaren, J.M. (Los Alamos National Lab., NM (USA)); Gonis, A. (Lawrence Livermore National Lab., CA (USA)) & Somorjai, G.A. (Lawrence Berkeley Lab., CA (USA) California Univ., Berkeley, CA (USA). Dept. of Chemistry)
System: The UNT Digital Library
Thermal analysis of the FSP-1 fuel pin irradiation test (open access)

Thermal analysis of the FSP-1 fuel pin irradiation test

Thermal analysis of a pin from the FSP-1 fuels irradiation test has been completed. The purpose of the analysis was to provide predictions of fuel pin temperatures, determine the flow regime within the lithium annulus of the test assembly, and provide a standardized model for a consistent basis of comparison between pins within the test assembly. The calculations have predicted that the pin is operating at slightly above the test design temperatures and that the flow regime within the lithium annulus is a laminar buoyancy driven flow. 7 refs., 5 figs.
Date: July 25, 1990
Creator: Lyon, W. F., III
System: The UNT Digital Library