Validation of a realistic powder sample using data from DMC at PSI

Peter Kjær Willendrup, U. Filges, L. Keller, E. Farhi, Kim Lefmann

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    We present results of a virtual experiment, carried out by means of a McStas simulation of the powder diffractometer DMC at PSI, using the new powder sample component PowderN. This powder component takes tabulated crystallographic input to define realistic powder lines. The simulated output data from the virtual experiment on the compound Na2Ca3Al2F14 are compared to real measurement data from the DMC instrument. The agreement is very good with respect to peak positions, widths, background intensity and relative peak intensities. This work represents an important step towards reliable virtual experiments and also act as a validation of the PowderN sample component in McStas.

    Original languageEnglish
    JournalPhysica b-condensed matter
    Volume385-386
    Issue numberPt. 2
    Pages (from-to)1032-1034
    ISSN0921-4526
    DOIs
    Publication statusPublished - 2006
    Event8th International Conference on Neutron Scattering - Sydney, Australia
    Duration: 27 Nov 20052 Dec 2005
    Conference number: 8

    Conference

    Conference8th International Conference on Neutron Scattering
    Number8
    CountryAustralia
    CitySydney
    Period27/11/200502/12/2005

    Keywords

    • Virtual experiment
    • Monte Carlo simulation
    • Ray-tracing

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