Amorphization of Silicon Carbide by Carbon Displacement

Devanathan, Ram; Gao, Fei; Weber, William J

doi:10.1063/1.1739515

Title: Amorphization of Silicon Carbide by Carbon Displacement

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Abstract

We have used molecular dynamics simulations to examine the possibility of amorphizing silicon carbide (SiC) by exclusively displacing C atoms. At a defect generation corresponding to 0.2 displacements per atom, the enthalpy surpasses the level of melt-quenched SiC, the density decreases by about 15%, and the radial distribution function shows a lack of long-range order. Prior to amorphization, the surviving defects are mainly C Frenkel pairs (67%), but Si Frenkel pairs (18%) and anti-site defects (15%) are also present. The results indicate that SiC can be amorphized by C sublattice displacements. Chemical short-range disorder, arising mainly from interstitial production, plays a significant role in the amorphization.

Authors:: Devanathan, Ram; Gao, Fei; Weber, William J

Publication Date:: Mon May 10 00:00:00 EDT 2004

Research Org.:: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)

Sponsoring Org.:: USDOE

OSTI Identifier:: 15010595

Report Number(s):: PNNL-SA-40108
8208; 3448; KC0201020

DOE Contract Number:: AC05-76RL01830

Resource Type:: Journal Article

Journal Name:: Applied Physics Letters, 84(19):3909-3911

Additional Journal Information:: Journal Name: Applied Physics Letters, 84(19):3909-3911

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Silicon Carbide; Amorphization; Defects; Environmental Molecular Sciences Laboratory

Citation Formats


                    Devanathan, Ram, Gao, Fei, and Weber, William J. Amorphization of Silicon Carbide by Carbon Displacement.  United States: N. p., 2004. 
        Web.  doi:10.1063/1.1739515.

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                    Devanathan, Ram, Gao, Fei, & Weber, William J. Amorphization of Silicon Carbide by Carbon Displacement.  United States.  https://doi.org/10.1063/1.1739515

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                    Devanathan, Ram, Gao, Fei, and Weber, William J. 2004.  
        "Amorphization of Silicon Carbide by Carbon Displacement".  United States.  https://doi.org/10.1063/1.1739515.

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@article{osti_15010595,

  title        = {Amorphization of Silicon Carbide by Carbon Displacement},

  author       = {Devanathan, Ram and Gao, Fei and Weber, William J},

  abstractNote = {We have used molecular dynamics simulations to examine the possibility of amorphizing silicon carbide (SiC) by exclusively displacing C atoms. At a defect generation corresponding to 0.2 displacements per atom, the enthalpy surpasses the level of melt-quenched SiC, the density decreases by about 15%, and the radial distribution function shows a lack of long-range order. Prior to amorphization, the surviving defects are mainly C Frenkel pairs (67%), but Si Frenkel pairs (18%) and anti-site defects (15%) are also present. The results indicate that SiC can be amorphized by C sublattice displacements. Chemical short-range disorder, arising mainly from interstitial production, plays a significant role in the amorphization.},

  doi          = {10.1063/1.1739515},

  url          = {https://www.osti.gov/biblio/15010595},
  journal      = {Applied Physics Letters, 84(19):3909-3911},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 10 00:00:00 EDT 2004},

  month        = {Mon May 10 00:00:00 EDT 2004}

}

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