Extending the reach of powder diffraction modelling by user defined macros : special topic volume with invited peer reviewed papers only /

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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 co...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Scardi, P. (Paolo), Dinnebier, Robert E.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Switzerland ; Trans Tech, 2010.
©2010
Colección:Materials science forum ; v. 651.
Temas:
Diffraction > Mathematics.
Diffraction > Computer simulation.
Diffraction > Mathématiques.
Diffraction > Simulation par ordinateur.
SCIENCE > Physics > Optics & Light.
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 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.

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