Molecular Dynamics Simulation of Amorphous Oxides

ORAL

Abstract

Amorphous oxides has been used as coating material of interferometers for gravitational wave detection. To optimize their performance, efforts have been devoted to determining diffusive behavior of amorphous pure Ta2O5 as well as Ta2O5 with various dopants by classical molecular dynamics (MD) simulations. Furthermore, empirical pair potentials aiming at reproducing elastic properties of GeO2 and doped GeO2 have been constructed. The new potentials are applied to examine the thermodynamic properties of such material. Also, the vibrational density of states and Raman spectra of amorphous oxides have been demonstrated using MD simulation.

*This work is supported by the NSF through grants PHY-1707870 and PHY-1404110.

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Presenters

  • Rui Zhang

    • Physics, University of Florida

Authors

  • Rui Zhang

    • Physics, University of Florida

  • Jun Jiang

    • Department of Physics and Quantum Theory Project, University of Florida
    • University of Florida
    • Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida
    • Physics, University of Florida

  • Maher Yazback

    • Physics, University of Florida

  • Alec Mishkin

    • Department of Physics and Quantum Theory Project, University of Florida
    • University of Florida
    • Physics, University of Florida

  • Hai-Ping Cheng

    • University of Florida
    • Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida
    • Department of Physics and Quantum Theory Project, University of Florida
    • Physics, Univrsity of FL
    • Physics, University of Florida