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    A Machine Learning-Based Atomistic-Continuum Multi-Scale Modeling of Perfect and Defective Ni-Based Superalloy in Elastoplastic Regions

    , M.Sc. Thesis Sharif University of Technology Kianezhad Tajanaki, Mohammad (Author) ; Khoei, Amir Reza (Supervisor)
    Abstract
    In this paper, a machine learning-based atomistic-continuum multi-scale scheme is introduced to model the materials' geometrically and materially nonlinear behavior. The kinematic and energetic consistency principles are employed to link the atomistic and continuum scales. In order to establish the kinematic consistency principle, the periodic boundary condition is implemented for the atomistic RVE. The Ni-based superalloy, including 0 to 3% porosity, is considered for the models. Several parameter analysis is done to distinguish the proper atomistic RVE to be used in multi-scale models. The data set, including the stress-strain samples, is generated through molecular dynamics analysis...