Investigation on high temperature fracture properties of amorphous silicon dioxide by large-scale atomistic simulations

  • Ningbo Liao
  • Wei Xue
  • Hongming Zhou
  • Miao Zhang


Amorphous silicon dioxide exhibits low temperature expansion coefficient and stability of dielectric properties over a wide range of frequencies and temperatures, and plays an important role in integrated circuits and microelectronics. Downscaling of dimensions in there devices means great challenges for thin film reliability and physical characterization. Mechanical failure caused by stresses in thermal conditions is the major reliability issues for electronic devices. As the experiments have limitations in micro/nano-scale characterization of fracture properties at high temperatures, atomistic simulation is a proper way to investigate this particular mechanism. In this paper, the structural and fracture properties of amorphous silicon dioxide (a-SiO2) were studied at temperatures up to 1,500 K. The simulation results consist with the experiments on pair distribution function, structure factor, angular distributions and temperature-dependent Young’s moduli. The calculated Young’s modulus is close to the simulation and experimental results of 72.5–78.9 GPa for SiO2, and begin to drop after 900 K With temperature increasing.


Fracture Property Amorphous Silicon Dioxide Atomistic Simulation Pair Distribution Function Static Structure Factor 
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The authors would like to acknowledge the support of the National Natural Science Foundation of China (51202164), Natural Science Foundation of Zhejiang Province (Y1111140) and Scientific Foundation for Start-up Scholars of Wenzhou University.


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Copyright information

© Springer Science+Business Media New York 2012

Authors and Affiliations

  • Ningbo Liao
    • 1
  • Wei Xue
    • 1
  • Hongming Zhou
    • 1
  • Miao Zhang
    • 1
  1. 1.College of Mechanical and Electrical EngineeringWenzhou UniversityWenzhouPeople’s Republic of China

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