Extending the Reach of Powder Diffraction Modelling
Published on 20. May 2010
226 pages
978-3-03813-333-9 (ISBN)
Description
Volume is indexed by Thomson Reuters BCI (WoS).
The main focus of this special topic volume is the development and possibilities of the MACRO language within TOPAS, with a specific session dedicated to WPPM. The collection is presented here in the form of a "macro tutorial" for the benefit of the entire powder diffraction community. More than a collection of standard scientific papers, the contributions to this special issue provide methods, tutorials and practical suggestions and solutions for the proper use of TOPAS and WPPM in a number of applications; ranging from the most common to the most refined and specific cases.
The main focus of this special topic volume is the development and possibilities of the MACRO language within TOPAS, with a specific session dedicated to WPPM. The collection is presented here in the form of a "macro tutorial" for the benefit of the entire powder diffraction community. More than a collection of standard scientific papers, the contributions to this special issue provide methods, tutorials and practical suggestions and solutions for the proper use of TOPAS and WPPM in a number of applications; ranging from the most common to the most refined and specific cases.
More details
Series
Language
English
Place of publication
Zurich-Durnten
Switzerland
Target group
Professional and scholarly
Illustrations
Illustrations
File size
39,86 MB
ISBN-13
978-3-03813-333-9 (9783038133339)
DOI
10.4028/b-8y1pJb
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
Trans Tech Publications Ltd | Paolo Scardi | Robert E. Dinnebier
Extending the Reach of Powder Diffraction Modelling
by User Defined Macros
Book
09/2010
Trans Tech Publications Ltd
€221.35
Shipment within 3-4 weeks
Paolo Scardi | Robert E. Dinnebier
Extending the Reach of Powder Diffraction Modelling
Software
09/2010
Trans Tech Publications Ltd
€165.22
Shipment within 10-20 days
Content
Preface
Advanced Input Files & Parametric Quantitative Analysis Using Topas
Problem Solving with the TOPAS Macro Language: Corrections and Constraints in Simulated Annealing and Rietveld Refinement
Robust Refinement as Implemented in TOPAS
In Situ Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis Techniques
Molecular Motion by Refinement of TLS Matrices from High Resolution Laboratory Powder Diffraction Data: Implementation in the Program TOPAS and Application to Crystalline Naphthalene
Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction
Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature
"Powder 3D Parametric"- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas
MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS
Protein Powder Diffraction Analysis with TOPAS
Composition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling Procedures
WPPM: Microstructural Analysis beyond the Rietveld Method
WPPM: Advances in the Modeling of Dislocation Line Broadening
Domain Size Analysis in the Rietveld Method
The Application of the Fundamental Parameters Approach as Implemented in TOPAS to Divergent Beam Powder Diffraction Data
Advanced Input Files & Parametric Quantitative Analysis Using Topas
Problem Solving with the TOPAS Macro Language: Corrections and Constraints in Simulated Annealing and Rietveld Refinement
Robust Refinement as Implemented in TOPAS
In Situ Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis Techniques
Molecular Motion by Refinement of TLS Matrices from High Resolution Laboratory Powder Diffraction Data: Implementation in the Program TOPAS and Application to Crystalline Naphthalene
Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction
Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature
"Powder 3D Parametric"- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas
MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS
Protein Powder Diffraction Analysis with TOPAS
Composition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling Procedures
WPPM: Microstructural Analysis beyond the Rietveld Method
WPPM: Advances in the Modeling of Dislocation Line Broadening
Domain Size Analysis in the Rietveld Method
The Application of the Fundamental Parameters Approach as Implemented in TOPAS to Divergent Beam Powder Diffraction Data
