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WW4.05 - Applications of High Throughput Methodologies to the Materials Genome Initiative 
Date/Time:
April 23, 2014   10:00am - 10:30am
 
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High throughput (combinatorial) materials science methodology is a relatively new research paradigm that has enabled rapid and efficient materials discovery, screening, and optimization. Combinatorial methods can address the extremely high cost and long development times of new materials, and their introduction into commerce, and are therefore consistent with the goals of the Materials Genome Initiative (MGI). Going forward, MGI will be an important driver of high throughput methodologies; not only will combinatorial methods serve as a rapid technique for validating properties predicted by modeling and simulation, but also they will be used to generate experimental data that can iteratively improve such models. This talk will review the progress of high throughput experimentation for materials in the electronic, magnetic, optical, and energy-related arenas. A major challenge for combinatorial methodology will be the ability to rapidly manage large amounts of data in a variety of formats. Thus, we will discuss the use of materials informatics to address the ever-increasing amount of data resulting from modern experimentation, as well as the speed at which it is generated. Such an approach is required to identify, from myriad choices, those materials that give rise to materials with a particular desired property. As an example, a probabilistic clustering analysis algorithm for mining large amounts of x-ray diffraction data for phase identification will be discussed. Further, we will describe the high-throughput characterization of thermochromic films for “smart,” energy efficient window coatings. The origin of the thermochromic behavior of our films is a phase transition from monoclinic VO2 to tetragonal VO2, accompanied by a change in near infrared reflectance. High throughput methodologies were used to screen binary and ternary oxides based on the VO2 system for compositions that exhibit the phase transformation in the desired (ambient) temperature range. A novel, high throughput measurement tool for spectroscopic reflectance has been constructed for this research, and data collection, handling, and analysis have been fully automated.
 


 
 
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