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Harnessing the Power of Computational Materials Science; Investing the Mechanisms of Phase Transformations in Ceramics Using DFT

MATE Tenure Track Faculty Position in Computational Materials Engineering, Interview Candidate Seminar| Tuesday, May 7, 2019 | 11:10 am - 12:00 pm | 192-204

Dr Amir. Saeidi

PhD Candidate, Materials Science and Engineering Deparment

University of California, Irvine

Research on phase transformations in Yttria-Stabilized-Zirconia (YSZ) will be presented. Experimental work shows that t'-YSZ transforms to t-YSZ and z-YSZ faster in the presence of water vapor. This work used Density Functional Theory (DFT) to understand the mechanisms by which water species accelerate this process by focusing on point defects. The results show that water species make isolated defects more stable than defect clusters, which makes cation diffusion faster, and as a result, the phase transformations happen at a faster rate. Dr. Saeidi will also present a brief teaching module from an Introductory Materials Engineering course as part of his seminar. Students, staff, and faculty are welcome to attend. 




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