Advanced Input Files & Parametric Quantitative Analysis Using Topas

John S.O. Evans

doi:10.4028/www.scientific.net/MSF.651.1

Paper Titles

Advanced Input Files & Parametric Quantitative Analysis Using Topas
p.1

Problem Solving with the TOPAS Macro Language: Corrections and Constraints in Simulated Annealing and Rietveld Refinement
p.11

Robust Refinement as Implemented in TOPAS
p.27

In Situ Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis Techniques
p.37

Molecular Motion by Refinement of TLS Matrices from High Resolution Laboratory Powder Diffraction Data: Implementation in the Program TOPAS and Application to Crystalline Naphthalene
p.65

Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction
p.71

Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature
p.79

“Powder 3D Parametric”- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas
p.97

HomeMaterials Science ForumMaterials Science Forum Vol. 651Advanced Input Files & Parametric Quantitative...

Advanced Input Files & Parametric Quantitative Analysis Using Topas

Abstract:

Topas is a powerful and flexible software suite for the analysis of powder diffraction (and other) data. In this paper we describe methods to interact with the software in efficient and customisable ways. We also provide brief details of a wiki site for sharing ideas and methods for this software (topas.dur.ac.uk). Finally we give an overview of the potential advantages of parametric refinement methods within Topas and exemplify them with a quantitative analysis study of the phase transitions in WO3.

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Periodical:

Materials Science Forum (Volume 651)

Pages:

1-9

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.651.1

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Online since:

May 2010

Authors:

John S.O. Evans

Keywords:

jEdit, Powder Diffraction, Quantitative Analysis, Rietveld Refinement

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