| Description |
1 online resource (v, 219 pages) : illustrations |
| Series |
Materials science forum, 0255-5476 ; v. 651 |
|
Materials science forum ; v. 651
|
| Contents |
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 |
| Summary |
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. Readers will fi |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Print version record |
| Subject |
Diffraction -- Mathematics
|
|
Diffraction -- Computer simulation
|
|
SCIENCE -- Physics -- Optics & Light.
|
| Form |
Electronic book
|
| Author |
Scardi, P. (Paolo)
|
|
Dinnebier, Robert E
|
| LC no. |
2011499547 |
| ISBN |
9783038133339 |
|
3038133337 |
|
