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Title: Fitting a free-form scattering length density profile to reflectivity data using temperature-proportional quenching

Abstract

A technique for fitting a free-form scattering length density profile to reflectivity data via least-squares minimization is presented. The approach combines aspects of simulated annealing with a parametrized representation of the scattering length density profile. The ability of the algorithm to accurately recover the scattering length density profile from arbitrary initial parameter values is demonstrated for simulated and experimental data.

Authors:
;  [1]
  1. Department of Chemical Engineering and Materials Science, University of California, Davis, California 95616 (United States)
Publication Date:
OSTI Identifier:
20864364
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 125; Journal Issue: 24; Other Information: DOI: 10.1063/1.2403126; (c) 2006 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALGORITHMS; ANNEALING; APPROXIMATIONS; CRYSTALLOGRAPHY; LEAST SQUARE FIT; NEUTRON DIFFRACTION; QUENCHING; REFLECTIVITY; SCATTERING LENGTHS; X-RAY DIFFRACTION

Citation Formats

Laub, Charles F., and Kuhl, Tonya L.. Fitting a free-form scattering length density profile to reflectivity data using temperature-proportional quenching. United States: N. p., 2006. Web. doi:10.1063/1.2403126.
Laub, Charles F., & Kuhl, Tonya L.. Fitting a free-form scattering length density profile to reflectivity data using temperature-proportional quenching. United States. doi:10.1063/1.2403126.
Laub, Charles F., and Kuhl, Tonya L.. Thu . "Fitting a free-form scattering length density profile to reflectivity data using temperature-proportional quenching". United States. doi:10.1063/1.2403126.
@article{osti_20864364,
title = {Fitting a free-form scattering length density profile to reflectivity data using temperature-proportional quenching},
author = {Laub, Charles F. and Kuhl, Tonya L.},
abstractNote = {A technique for fitting a free-form scattering length density profile to reflectivity data via least-squares minimization is presented. The approach combines aspects of simulated annealing with a parametrized representation of the scattering length density profile. The ability of the algorithm to accurately recover the scattering length density profile from arbitrary initial parameter values is demonstrated for simulated and experimental data.},
doi = {10.1063/1.2403126},
journal = {Journal of Chemical Physics},
number = 24,
volume = 125,
place = {United States},
year = {Thu Dec 28 00:00:00 EST 2006},
month = {Thu Dec 28 00:00:00 EST 2006}
}