Configurational Entropy of Quantum Liquids Based on the Potential Energy Landscape Formalism

ORAL

Abstract

The potential energy landscape (PEL) formalism is a framework within statistical mechanics that allows one to describe the behavior of classical low-temperature liquids and glasses. Recently, the PEL formalism has been extended to the case of quantum liquids and glasses. In this talk, I will present results from path-integral molecular dynamics simulations of a glass former model liquid (Lennard-Jones binary mixture) and show that classical and quantum liquids can be described in a similar manner when using the PEL formalism. I will show that, as for the classical case, one can define a configurational entropy for a quantum liquid, Sconf(T). Importantly, the so obtained Sconf(T) is related with the diffusion coefficient of the liquid as predicted by the Adam-Gibbs relation (which has been tested extensively for classical liquids). This implies that the dynamics of the quantum liquid is related to the topography of the associated PEL.

*This work was supported by the NSF CREST Center for Interface Design and Engineered Assembly of Low Dimensional Systems (IDEALS), NSF grant number HRD-1547830.

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Presenters

  • Yang Zhou

    • The Graduate Center, City University of New York

Authors

  • Yang Zhou

    • The Graduate Center, City University of New York

  • Ali H Eltareb

    • The Graduate Center, City University of New York

  • Gustavo Lopez

    • Lehman College of the City University of New York
    • The City University of New York, Lehman College and the Graduate Center
    • The City University of New York Lehman College

  • Nicolas Giovambattista

    • Brooklyn College
    • The City University of New York, Brooklyn College and the Graduate Center