Improvements and considerations for size distribution retrieval from small-angle scattering data by Monte Carlo methods.

J Appl Crystallogr

Centre for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University, DK-8000 Aarhus, Denmark ; Structural Materials Science Laboratory, RIKEN SPring-8 Centre, Hyogo 679-5148, Japan ; International Centre for Young Scientists, National Institute of Materials Science, Tsukuba 305-0047, Japan.

Published: April 2013

AI Article Synopsis

  • Monte Carlo methods utilize random updates and trial-and-error to analyze particle size distributions from small-angle scattering, particularly in low-concentration solutions or metals.
  • Recent enhancements to these methods include a clear convergence criterion, adjustments for better visibility matching in scattering data, and techniques for estimating visibility thresholds and uncertainties in size distributions.
  • These improvements aim to enhance the accuracy and reliability of particle size analysis.

Article Abstract

Monte Carlo (MC) methods, based on random updates and the trial-and-error principle, are well suited to retrieve form-free particle size distributions from small-angle scattering patterns of non-interacting low-concentration scatterers such as particles in solution or precipitates in metals. Improvements are presented to existing MC methods, such as a non-ambiguous convergence criterion, nonlinear scaling of contributions to match their observability in a scattering measurement, and a method for estimating the minimum visibility threshold and uncertainties on the resulting size distributions.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3627408PMC
http://dx.doi.org/10.1107/S0021889813001295DOI Listing

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