Molecular-Dynamics Study of Mechanical Deformation in Nano-Crystalline Aluminum
نویسندگان
چکیده
We report on molecular-dynamics (MD) simulations of tensile loading of nano-crystalline Al modeled by an embedded-atom method (EAM) potential. Usage of two different sample preparation methods of the nano-crystalline material allows us to compare mechanical properties for different sample qualities. A Voronoi-constructed polycrystal exhibits nearly no pores and has different mechanical properties compared to a material that is sintered under pressure and temperature from spherical nanoparticles, resulting in a lower-density sample. We found an inverse Hall–Petch relation for the flow stress for grain sizes smaller than 10 nm. Intergranular fracture was observed for the larger Al grain sizes, but not for nano-crystalline Cu.
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