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Paper Titles
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Molecular Motion by Refinement of TLS Matrices from High Resolution Laboratory Powder Diffraction Data: Implementation in the Program TOPAS and Application to Crystalline Naphthalene
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Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature
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“Powder 3D Parametric”- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas

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Abstract:

A new program to perform fast sequential and parametric whole powder profile refinement of in situ time-resolved powder diffraction data is presented. The program interacts with the launch mode kernel of the total powder pattern analysis software suite Topas® for doing the refinements. The program provides a graphical interface platform, upon which the huge Topas input command files necessary to perform sequential and parametric refinements can be easily prepared and executed. This program requires the user license dongle for Topas academic version 3 or higher.

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Periodical:

Materials Science Forum (Volume 651)

Pages:

97-104

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.651.97

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Online since:

May 2010

Authors:

Paneerselvam Rajiv, Robert E. Dinnebier, Martin Jansen

Keywords:

Automation, Avrami, In Situ Powder Diffraction, Parametric Refinement, Rietveld, Sequential Refinement, Time-Resolved, TOPAS

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© 2010 Trans Tech Publications Ltd. All Rights Reserved

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