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Data Management And Visualization Of X-Ray Diffraction Spectra From Thin Film Ternary Composition Spreads, I. Takeuchi, C. Long, O. Famodu, M. Murakami, Jason Hattrick-Simpers, G. Rubloff, M. Stukowski, K. Rajan
Data Management And Visualization Of X-Ray Diffraction Spectra From Thin Film Ternary Composition Spreads, I. Takeuchi, C. Long, O. Famodu, M. Murakami, Jason Hattrick-Simpers, G. Rubloff, M. Stukowski, K. Rajan
Jason R. Hattrick-Simpers
We discuss techniques for managing and visualizing x-ray diffraction spectrum data for thin film composition spreads which map large fractions of ternary compositional phase diagrams. An in-house x-ray microdiffractometer is used to obtain spectra from over 500 different compositions on an individual spread. The MATLAB software is used to quickly organize the data and create various plots from which one can quickly grasp different information regarding structural and phase changes across the composition spreads. Such exercises are valuable in rapidly assessing the “overall” picture of the structural evolution across phase diagrams before focusing in on specific composition regions for detailed …
Rapid Structural Mapping Of Ternary Metallic Alloy Systems Using The Combinatorial Approach And Cluster Analysis, C. Long, Jason Hattrick-Simpers, M. Murakami, R. Srivastava, I. Takeuchi, V. Karen, X. Li
Rapid Structural Mapping Of Ternary Metallic Alloy Systems Using The Combinatorial Approach And Cluster Analysis, C. Long, Jason Hattrick-Simpers, M. Murakami, R. Srivastava, I. Takeuchi, V. Karen, X. Li
Jason R. Hattrick-Simpers
We are developing a procedure for the quick identification of structural phases in thin film composition spread experiments which map large fractions of compositional phase diagrams of ternary metallic alloy systems. An in-house scanning x-ray microdiffractometer is used to obtain x-ray spectra from 273 different compositions on a single composition spread library. A cluster analysissoftware is then used to sort the spectra into groups in order to rapidly discover the distribution of phases on the ternary diagram. The most representative pattern of each group is then compared to a database of known structures to identify known phases. Using this method, …