Threshold displacement energy of amorphous SiO2: A molecular dynamics study

JOURNAL OF NON-CRYSTALLINE SOLIDS(2023)

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Abstract
•Developed a new method to construct the structure of amorphous SiO2.•Found the linear dependence of the TDE of O atoms on the Si–O–Si bond angles.•Discovered the increase of the attraction exerted on the central O atom as the Si–O–Si bond angle increases.•Predicted higher TDE values and higher radiation resistance of SiO2 at annealing temperature ranging from 3000 to 3500 K.
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Key words
Amorphous SiO2,Threshold displacement energy,Molecular dynamics,Amorphous structure building,Annealing temperature
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