NSLS-II Seminar

"Monte Carlo Simulation of Neutron Powder Diffraction at Spallation Source"

Presented by LI LI, Columbia University

Friday, May 27, 2011, 2:30 pm — Large Conference Room Building 703

Measured powder diffraction patterns contain contributions from the sample examined in the study and the instrument used for the measurement.  Most available data analysis software operate on the measured data to extract sample parameters. However, there are few programs that can take sample parameters and rigorously simulate the expected diffraction profile for a given instrument. In this work Monte Carlo methods, within the framework of McStas software, were used for the simulation of neutron diffraction at SMARTS diffractometer in Los Alamos Neutron Science Center. Simulations included all machine components, such as the moderator, guide system, collimator, sample (kernel) and detector banks. The simulation yielded information on the line broadening introduced into the diffraction profile as a function of energy and was used to predict the size limit above which line broadening studies cannot be performed on this instrument. This work provides an example of how rigorous scattering theory can be used to design optimal diffraction instruments.

Hosted by: Enju Lima

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