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

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 tem...

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Bibliographic Details
Published in:Energies (Basel) 2023-07, Vol.16 (13), p.4927
Main Authors: Hou, Ming-Dong, Zhou, Xiang-Wen, Liu, Malin, Liu, Bing
Format: Article
Language:English
Subjects:
Analysis
Beryllium
Beryllium oxide
Ceramic materials
Ceramics
Compressive properties
Deformation
Dynamic mechanical properties
Edge dislocations
Flexural strength
Grain boundaries
High temperature
Low temperature
Mechanical properties
Molecular dynamics
Nuclear energy
Nuclear reactors
Plastic deformation
Polycrystals
Simulation
Simulation methods
Space exploration
Tensile strength
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Summary: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.
ISSN:1996-1073
1996-1073
DOI:10.3390/en16134927