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  1. No Access

    Article

    Molecular dynamics simulation of the orientation and temperature dependence in MgAl2O4 spinel

    Through molecular dynamics simulations, this study investigates the orientation and temperature dependence of the tensile mechanical properties, the failure mechanism, and crack propagation characteristics of ...

    Aiqiong Pan, Wenyan Wang, Hongquan Song, Hui Zhang… in Journal of Materials Science (2024)

  2. No Access

    Article

    First-principles study on interfacial properties and the electronic structure of the Al(001)/MgAl2O4(001) interface

    In this work, the interfacial structure, adhesion properties, and electronic structure of the Al(001)/MgAl2O4(001) interface are investigated via density functional theory calculations. Considering different term...

    Aiqiong Pan, Wenyan Wang, Hui Zhang, Shiming Hao… in Journal of Materials Science (2024)

  3. No Access

    Article

    An atomistic simulation on the tensile and compressive deformation mechanisms of nano-polycrystalline Ti

    In the present work, the molecular dynamics (MD) simulation is employed to investigate the tensile and compressive deformation behavior of nano-polycrystalline Ti with the mean grain size of 6.8 nm. The deform...

    Hui Zhang, Aiqiong Pan, Ruiyao Hei, Pei Liu in Applied Physics A (2021)