Molecular Dynamics Simulation of High Temperature Mechanical Properties of Nano-Polycrystalline Beryllium Oxide and Relevant Experimental Verification

MD Hou and XW Zhou and ML Liu and B Liu, ENERGIES, 16, 4927 (2023).

DOI: 10.3390/en16134927

This article investigated the deformation behavior of nano- polycrystalline beryllium oxide under tensile and compressive stress using the molecular dynamics simulation method. Both the tensile and compressive test results indicate that beryllium oxide breaks mainly along grain boundaries. At low temperature, there is little internal deformation of beryllium oxide grains. When the temperature is above 1473 K, the internal deformation of beryllium oxide grains also occurs, and the phenomenon becomes more obvious with the increase in temperature. This deformation within the grain should be plastic. The flexural strength fracture morphology of beryllium oxide also shows that the fracture mode of beryllium oxide is a brittle fracture at low temperature, while the slip bands appear at 1773 K. This indicates that beryllium oxide, as a ceramic material, can also undergo plastic deformation under high temperature and stress.

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