{"649798":{"#nid":"649798","#data":{"type":"event","title":"IMat Distinguished Lecture in Materials | Machine Learning and First-Principles Prediction of New Superhard Ternary \u0026 High-Entropy Borides","body":[{"value":"\u003Ch5\u003EProfessor Cheng-Chien Chen | Department of Physics, University of Alabama at Birmingham\u003C\/h5\u003E\r\n\r\n\u003Cp\u003E\u003Cbr \/\u003E\r\n\u003Cstrong\u003EAbstract\u003C\/strong\u003E: Super-hard materials exhibit a Vickers hardness H \u0026ge; 40 GPa, and they have extensive industrial and technological applications. Due to the huge search space of possible element combinations, it is challenging to explore new superhard ternary or quaternary materials. In this talk, I will first discuss machine learning (ML) discovery of new superhard B-C-N and B-N-O compounds. The ML results are validated by evolutionary structure prediction and density functional theory (DFT). In particular, the proposed BC10N has a low formation energy and a high hardness H ~ 86 GPa only next to diamond. In the second part of the talk, I will discuss calculations of entropy formation ability (EFA) using both DFT and ML for 5-metal hexagonal high-entropy borides. The calculations indicate that EFA serves as a good descriptor for the synthesizability of high-entropy materials, some of which have superior mechanical properties promising for applications in extreme environments.\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003EBio:\u003C\/strong\u003E Cheng-Chien Chen received his Ph.D. in Physics from Stanford University in, 2011. Afterwards he became a Postdoctoral Scholar at the SLAC National Accelerator Laboratory and later an Aneesur Rahman Postdoctoral Fellow at the Argonne National Laboratory. He joined the Department of Physics at the University of Alabama at Birmingham (UAB) as an Assistant Professor in 2016. He is currently a Leadership Resource Allocation (LRAC) Awardee to use the NSF-funded Frontera Supercomputer and an NSF EPSCoR Research Fellow. Dr. Chen\u0026rsquo;s expertise lies in using quantum many-body simulations, first-principles calculations, and machine learning approaches to model and predict the properties of various quantum and functional materials.\u003C\/p\u003E\r\n\r\n\u003Ch4\u003EPlease register by September 15th to reserve your spot.\u003C\/h4\u003E\r\n\r\n\u003Ch4\u003E\u003Cstrong\u003ERegister at:\u003Ca href=\u0022https:\/\/primetime.bluejeans.com\/a2m\/register\/zqedjaux\u0022\u003E tinyurl.com\/IMatDLfall1\u003C\/a\u003E\u003C\/strong\u003E\u003C\/h4\u003E\r\n","summary":null,"format":"limited_html"}],"field_subtitle":"","field_summary":"","field_summary_sentence":[{"value":"Featuring Professor Cheng-Chien Chen | Department of Physics, University of Alabama at Birmingham"}],"uid":"27863","created_gmt":"2021-08-18 14:38:52","changed_gmt":"2021-08-24 12:40:51","author":"Christa Ernst","boilerplate_text":"","field_publication":"","field_article_url":"","field_event_time":{"event_time_start":"2021-09-21T15:00:00-04:00","event_time_end":"2021-09-21T16:00:00-04:00","event_time_end_last":"2021-09-21T16:00:00-04:00","gmt_time_start":"2021-09-21 19:00:00","gmt_time_end":"2021-09-21 20:00:00","gmt_time_end_last":"2021-09-21 20:00:00","rrule":null,"timezone":"America\/New_York"},"extras":["free_food"],"groups":[{"id":"213791","name":"3D Systems Packaging Research Center"},{"id":"1278","name":"College of Sciences"},{"id":"217141","name":"Georgia Tech Materials Institute"},{"id":"545781","name":"Institute for Data Engineering and Science"},{"id":"197261","name":"Institute for Electronics and Nanotechnology"}],"categories":[],"keywords":[{"id":"186870","name":"go-imat"},{"id":"13752","name":"Materials Science \u0026 Engineering"},{"id":"87331","name":"computational materials science"},{"id":"9167","name":"machine learning"},{"id":"365","name":"Research"},{"id":"187082","name":"go-ideas"},{"id":"185963","name":"extreme environments"}],"core_research_areas":[],"news_room_topics":[],"event_categories":[{"id":"1795","name":"Seminar\/Lecture\/Colloquium"}],"invited_audience":[{"id":"78761","name":"Faculty\/Staff"},{"id":"177814","name":"Postdoc"},{"id":"78771","name":"Public"},{"id":"174045","name":"Graduate students"},{"id":"78751","name":"Undergraduate students"}],"affiliations":[],"classification":[],"areas_of_expertise":[],"news_and_recent_appearances":[],"phone":[],"contact":[{"value":"\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003ECecelia Jones - Assistant Director, Admin., Operations\u003Cbr \/\u003E\r\nGeorgia Tech Institute for Materials\u003Cbr \/\u003E\r\nMarcus Nanotechnology Building, Suite 2131\u003Cbr \/\u003E\r\nAtlanta, GA 30332\u003Cbr \/\u003E\r\nCell: 770-905-6425\/Office: 404-894-7769 | Fax: 404-894-0186\u003Cbr \/\u003E\r\nWeb: \u003Ca href=\u0022http:\/\/www.materials.gatech.edu\/\u0022 rel=\u0022noopener noreferrer\u0022 target=\u0022_blank\u0022\u003Ewww.materials.gatech.edu\u003C\/a\u003E\u003C\/p\u003E\r\n","format":"limited_html"}],"email":[],"slides":[],"orientation":[],"userdata":""}}}