Journal
JOURNAL OF NON-CRYSTALLINE SOLIDS
Volume 558, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.jnoncrysol.2021.120664
Keywords
Amorphous boron nitride; The generation and characterization method; Atomistic simulations; Mechanical properties
Funding
- Fundamental Research Funds for the Central Universities [2018CDXYHK0016]
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This paper proposes a strategy for generating the microstructure of a-BN and validates its effectiveness through characterization analysis. The high-density a-BN has discretely distributed micro-voids, and increasing annealing temperature or initial density can increase the Young's modulus and fracture strength.
In this paper, a simple and effective strategy for generating the microstructure of a-BN is firstly proposed based on classical molecular dynamics methods, and then is validated by characterizing the microstructure. The characterization analysis show that: i) a-BN with different densities and microstructures could be successfully generated mainly composed of the B3N3 hexagonal ring; ii) a-BN constructed by the combinations of the basic structural units with small size is more reasonable; iii) high-density a-BN, obtained at either high annealing temperature or high initial density, has discretely distributed micro-voids with larger scattering size distribution. The microstructure of the generated a-BN is subjected to tensile loading simulation, and the results showed the Young's modulus and fracture strength increase with increasing annealing temperature or initial density. During the tensile process, the micro-voids in high-density of a-BN gradually undergoes expansion, elongation, and mergence stages, and the ultimate fracture of a-BN.
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