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Extending the Reach of Powder Diffraction Modelling

Materials Science Forum Volume 651

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• p0 Preface   [ 51 K ]
• p1 Advanced Input Files & Parametric Quantitative Analysis Using Topas   [ 1 M ]
  Authors: John S.O. Evans
• p11 Problem Solving with the TOPAS Macro Language: Corrections and Constraints in Simulated Annealing and Rietveld Refinement   [ 1 M ]
  Authors: Pamela S. Whitfield, Isobel J. Davidson, Lyndon D. Mitchell, Siobhan A. Wilson, Stuart J. Mills
• p27 Robust Refinement as Implemented in TOPAS   [ 364 K ]
  Authors: Kevin H. Stone, P.W. Stephens
• p37 In Situ Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis Techniques   [ 4 M ]
  Authors: Ian C. Madsen, Ian E. Grey, Stuart J. Mills
• 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   [ 237 K ]
  Authors: Ivan Halasz, Robert E. Dinnebier
• p71 Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction   [ 377 K ]
  Authors: Ivan Halasz, Robert E. Dinnebier
• p79 Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature   [ 570 K ]
  Authors: Melanie Müller, Robert E. Dinnebier, Naveed Z. Ali, Branton J. Campbell, Martin Jansen
• p97 “Powder 3D Parametric”- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas   [ 1 M ]
  Authors: Paneerselvam Rajiv, Robert E. Dinnebier, Martin Jansen
• p105 MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS   [ 374 K ]
  Authors: Ali Samy, Robert E. Dinnebier, Pavel E. Kazin, Sander van Smaalen, Martin Jansen
• p117 Protein Powder Diffraction Analysis with TOPAS   [ 2 M ]
  Authors: Yves Watier, Andrew N. Fitch
• p131 Composition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling Procedures   [ 490 K ]
  Authors: Andreas Leineweber
• p155 WPPM: Microstructural Analysis beyond the Rietveld Method   [ 580 K ]
  Authors: Paolo Scardi, Matteo Ortolani, Matteo Leoni
• p173 WPPM: Advances in the Modeling of Dislocation Line Broadening   [ 398 K ]
  Authors: Matteo Leoni, Jorge Martinez-Garcia, Paolo Scardi
• p187 Domain Size Analysis in the Rietveld Method   [ 512 K ]
  Authors: W.I.F. David, Matteo Leoni, Paolo Scardi