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MSE Faculty Candidate Seminar: “Uncovering atomistic mechanisms of crystallization using Machine Learning”

February 20, 2020 at 10:45 AM - 11:45 AM
Details
Date: February 20, 2020
Time: 10:45 AM - 11:45 AM
  • Event Tags:
  • Organizer
    Materials Science and Engineering
    Phone: 215-898-2462
    Venue
    Auditorium, LRSM Building 3231 Walnut Street
    Philadelphia
    PA 19104
    Google Map

    Solid-liquid interfaces have notoriously haphazard atomic environments. While essentially amorphous, the liquid has short-range order and heterogeneous dynamics. The crystal, albeit ordered, contains a plethora of defects ranging from adatoms to dislocation-created spiral steps. All these elements are of paramount importance in the crystal growth process, which makes the crystallization kinetics challenging to describe concisely in a single framework. In this seminar I will introduce a novel data-driven approach to systematically detect, encode, and classify all atomic-scale crystallization mechanisms described above. I will also show how this approach naturally leads to a predictive kinetic model of crystallization that takes into account the entire zoo of microstructural elements present at solid-liquid interfaces. In this innovative application of data science to materials Machine Learning is employed as an aid to augment human intuition, rather than a substitute thereof. The result is an approach that blends prevailing scientific methods with data-science tools to produce physically-consistent models and conceptual knowledge.