Extending the Reach of Powder Diffraction Modelling
Published on 1. September 2010
Software
Digital media
226 pages
978-3-908452-24-9 (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
Language
English
Place of publication
Switzerland
Publishing group
Trans Tech Publications
Target group
Professional and scholarly
Dimensions
Height: 142 mm
Width: 125 mm
Thickness: 10 mm
Weight
200 gr
ISBN-13
978-3-908452-24-9 (9783908452249)
DOI
10.4028/www.scientific.net/MSF.651
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
E-Book
05/2010
Trans Tech Publications Ltd
€176.55
Available for download
Content
Advanced Input Files & Parametric Quantitative Analysis Using TopasProblem Solving with the TOPAS Macro Language: Corrections and Constraints in Simulated Annealing and Rietveld RefinementRobust Refinement as Implemented in TOPAS
In Situ Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis TechniquesMolecular Motion by Refinement of TLS Matrices from High Resolution Laboratory Powder Diffraction Data: Implementation in the Program TOPAS and Application to Crystalline NaphthaleneSimulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure DiffractionDirect 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 TopasMEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPASProtein Powder Diffraction Analysis with TOPASComposition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling ProceduresWPPM: Microstructural Analysis beyond the Rietveld MethodWPPM: Advances in the Modeling of Dislocation Line BroadeningDomain Size Analysis in the Rietveld MethodThe Application of the Fundamental Parameters Approach as Implemented in TOPAS to Divergent Beam Powder Diffraction Data
In Situ Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis TechniquesMolecular Motion by Refinement of TLS Matrices from High Resolution Laboratory Powder Diffraction Data: Implementation in the Program TOPAS and Application to Crystalline NaphthaleneSimulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure DiffractionDirect 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 TopasMEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPASProtein Powder Diffraction Analysis with TOPASComposition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling ProceduresWPPM: Microstructural Analysis beyond the Rietveld MethodWPPM: Advances in the Modeling of Dislocation Line BroadeningDomain Size Analysis in the Rietveld MethodThe Application of the Fundamental Parameters Approach as Implemented in TOPAS to Divergent Beam Powder Diffraction Data