Extending the Reach of Powder Diffraction Modelling
Materials Science Forum Volume 651
doi:10.4028/www.scientific.net/MSF.651
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Preface
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51 K
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p1
Advanced Input Files & Parametric Quantitative Analysis Using Topas
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1 M
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Authors: John S.O. Evans
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p11
Problem Solving with the TOPAS Macro Language: Corrections and Constraints in Simulated Annealing and Rietveld Refinement
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1 M
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Authors: Pamela S. Whitfield, Isobel J. Davidson, Lyndon D. Mitchell, Siobhan A. Wilson, Stuart J. Mills
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p27
Robust Refinement as Implemented in TOPAS
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364 K
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Authors: Kevin H. Stone, P.W. Stephens
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p37
In Situ Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis Techniques
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4 M
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Authors: Ian C. Madsen, Ian E. Grey, Stuart J. Mills
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p65
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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237 K
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Authors: Ivan Halasz, Robert E. Dinnebier
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p71
Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction
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377 K
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Authors: Ivan Halasz, Robert E. Dinnebier
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p79
Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature
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570 K
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Authors: Melanie Müller, Robert E. Dinnebier, Naveed Z. Ali, Branton J. Campbell, Martin Jansen
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p97
“Powder 3D Parametric”- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas
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1 M
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Authors: Paneerselvam Rajiv, Robert E. Dinnebier, Martin Jansen
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p105
MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS
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374 K
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Authors: Ali Samy, Robert E. Dinnebier, Pavel E. Kazin, Sander van Smaalen, Martin Jansen
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p117
Protein Powder Diffraction Analysis with TOPAS
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2 M
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Authors: Yves Watier, Andrew N. Fitch
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p131
Composition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling Procedures
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490 K
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Authors: Andreas Leineweber
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p155
WPPM: Microstructural Analysis beyond the Rietveld Method
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580 K
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Authors: Paolo Scardi, Matteo Ortolani, Matteo Leoni
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p173
WPPM: Advances in the Modeling of Dislocation Line Broadening
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398 K
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Authors: Matteo Leoni, Jorge Martinez-Garcia, Paolo Scardi
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p187
Domain Size Analysis in the Rietveld Method
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512 K
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Authors: W.I.F. David, Matteo Leoni, Paolo Scardi