ITR/AP(CHE):Characterization of Complex Polymeric Materials using Visualization of Multidimensional Data Sets from Multiple Analytical Technique Fusion

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Julia Fulghum and Javed Khan of Kent State University are supported by the Division of Chemistry under the Information Technology Research (ITR) program to create new methods for the non-destructive, three-dimensional characterization of heterogeneous, solid polymeric materials. Data will be acquired from polymer samples of increasing complexity using a variety of analytical techniques, including x-ray photoelectron spectroscopy, time-of-flight secondary ion mass spectrometry, and Fourier transform infrared spectroscopy. All of these methods can be used to obtain chemical information from different sample volumes, and to generate multidimensional data sets. Multivariate statistical analysis and classification methods will be used to enhance interpretation of the acquired data sets, ultimately enabling creation of a unified polymer framework, called an active knowledge mesh. The combined system will create synergy between the computer and the user in large and complex information space exploration, posing interesting challenges for multi-modal data analysis and its multi-perspective visualization.Polymers are widely used in a variety of high technology applications. For example, many current and proposed biomaterials are polymers, and polymers are contained as well in composites used for a light aircraft and automobiles. Commercially important materials often involve molecularly complex polymer blends whose surface chemistry and structure are particularly challenging to analyze. Outcomes from this project are expected to improve the understanding and evaluation of complex polymer blend characteristics, and ultimately enable enhanced control of technologically important materials properties.