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

Ming-Dong Hou, Xiang-Wen Zhou (), Malin Liu () and Bing Liu
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Ming-Dong Hou: Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China
Xiang-Wen Zhou: Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China
Malin Liu: Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China
Bing Liu: Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China

Energies, 2023, vol. 16, issue 13, 1-9

Abstract: 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.

Keywords: beryllium oxide; molecular dynamics; mechanical properties; plastic deformation (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2023
References: View complete reference list from CitEc
Citations: View citations in EconPapers (1)

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