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    • The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
    Authors: Vinh Van, Le; Thi Hinh, Dinh; Thao T. Nguyen; Ha Thi Thanh, Nguyen;  Advisor: -;  Co-Author: - (2022)

    Multiphase Al2O3 samples are simulated using molecular dynamics method. These samples consist of γ-Al2O3 and α-Al2O3 crystals embedded in a disordered phase matrix. The stress–strain curves of these samples show elastic and plastic deformation. Structural analysis indicates that the AlO bond lengths are stretched and the geometries of the AlOx (x = 4, 5, and 6) units are distorted during tensile deformation. AlO bond breakage causes the transformation of AlOx units; AlO4 increases while AlO6 decreases with increasing strain. The γ-Al2O3 and α-Al2O3 crystals transfer into the disordered phase, while a small number of atoms recrystallize under tensile loads. In plastic deformation, large simplexes with radii above 1.958 Å increase rapidly with increasing strains above 0.116, with th...
    • The Tensile Deformation of Multiphase Al2O3: Insights from Molecular Dynamics Simulations
    Authors: Vinh, Van Le; Dinh, Thi Hinh; Thao, T. Nguyen; Ha, Thi Thanh Nguyen;  Advisor: -;  Co-Author: - (2022)

    Multiphase Al2O3 samples are simulated using molecular dynamics method. These samples consist of γ-Al2O3 and α-Al2O3 crystals embedded in a disordered phase matrix. The stress–strain curves of these samples show elastic and plastic deformation. Structural analysis indicates that the AlO bond lengths are stretched and the geometries of the AlOx (x = 4, 5, and 6) units are distorted during tensile deformation. AlO bond breakage causes the transformation of AlOx units; AlO4 increases while AlO6 decreases with increasing strain. The γ-Al2O3 and α-Al2O3 crystals transfer into the disordered phase, while a small number of atoms recrystallize under tensile loads. In plastic deformation, large simplexes with radii above 1.958 Å increase rapidly with increasing strains above 0.116, with th...