Screened empirical bond-order potentials for Si-C

@inproceedings{Pastewka2013ScreenedEB,
  title={Screened empirical bond-order potentials for Si-C},
  author={Lars Pastewka and Andreas Klemenz and Peter Gumbsch and Michael Moseler},
  year={2013}
}
  • Lars Pastewka, Andreas Klemenz, +1 author Michael Moseler
  • Published 2013
  • Physics
  • Typical empirical bond-order potentials are short ranged and give ductile instead of brittle behavior for materials such as crystalline silicon or diamond. Screening functions can be used to increase the range of these potentials. We outline a general procedure to combine screening functions with bond-order potentials that does not require to refit any of the potential's properties. We use this approach to modify Tersoff's [Phys. Rev. B 39, 5566 (1989)], Erhart & Albe's [Phys. Rev. B 71, 35211… CONTINUE READING

    Create an AI-powered research feed to stay up to date with new papers like this posted to ArXiv

    Citations

    Publications citing this paper.
    SHOWING 1-10 OF 23 CITATIONS

    Finding the right tools for simulated nanoscale floristry

    VIEW 8 EXCERPTS
    CITES BACKGROUND
    HIGHLY INFLUENCED

    Structural and elastic properties of amorphous carbon from simulated quenching at low rates

    VIEW 8 EXCERPTS
    CITES RESULTS, BACKGROUND & METHODS
    HIGHLY INFLUENCED

    The Tersoff potential for extreme environment.

    VIEW 5 EXCERPTS
    CITES BACKGROUND
    HIGHLY INFLUENCED

    On the debris-level origins of adhesive wear.

    VIEW 4 EXCERPTS
    CITES BACKGROUND & METHODS
    HIGHLY INFLUENCED

    Vision-augmented molecular dynamics simulation of nanoindentation

    VIEW 3 EXCERPTS
    CITES METHODS
    HIGHLY INFLUENCED