Extending the Reach of Powder Diffraction Modelling

Volume 651

doi: 10.4028/www.scientific.net/MSF.651

Paper Title Page

Authors: John S.O. Evans

Abstract: Topas is a powerful and flexible software suite for the analysis of powder diffraction (and other) data. In this paper we describe methods...

Authors: Pamela S. Whitfield, Isobel J. Davidson, Lyndon D. Mitchell, Siobhan A. Wilson, Stuart J. Mills

Abstract: The TOPAS macro language can be a powerful tool for increasing the capabilities of X-ray powder diffraction analysis. New corrections and...

Authors: Kevin H. Stone, P.W. Stephens

Abstract: A robust refinement procedure is implemented in the program TOPAS through an iterative reweighting of the data. Examples are given of the...

Authors: Ian C. Madsen, Ian E. Grey, Stuart J. Mills

Abstract: A study of the thermal decomposition sequence of a sample of natural arsenian plumbojarosite has been undertaken using in situ X-ray...

Authors: Ivan Halasz, Robert E. Dinnebier

Abstract: Molecular motion by refinement of TLS matrices from high resolution laboratory powder diffraction data: implementation in the program TOPAS...

Authors: Ivan Halasz, Robert E. Dinnebier

Abstract: A simulated annealing like optimization method has been successfully applied for the determination of global minimum of equation of state...

Authors: Melanie Müller, Robert E. Dinnebier, Naveed Z. Ali, Branton J. Campbell, Martin Jansen

Abstract: The first order phase transition of CsFeO2 was investigated using synchrotron powder diffraction data as a function of temperature. Two...

Authors: Paneerselvam Rajiv, Robert E. Dinnebier, Martin Jansen

Abstract: A new program to perform fast sequential and parametric whole powder profile refinement of in situ time-resolved powder diffraction data is...

Authors: Ali Samy, Robert E. Dinnebier, Pavel E. Kazin, Sander van Smaalen, Martin Jansen

Abstract: A set of macros for the powerful least squares and global optimization program TOPAS has been written in order to create a user friendly...


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