What is medium-density amorphous ice?

ORAL

Abstract

Polyamorphism in water, characterized by the coexistence of two primary amorphous forms, low-density amorphous (LDA) and high-density amorphous (HDA), each associated with distinct liquid states, low-density liquid (LDL) and high-density liquid (HDL), has long been an intriguing phenomenon. Recent research has unveiled a new dimension of complexity with the discovery of medium density amorphous (MDA) ice, raising questions about its relationship with LDA, HDA, and its connection to the liquid state (Rosu-Finsen et al., Science 2023, 379, 474-478). In this study, we employ molecular dynamics simulations to investigate the formation of MDA. Our analysis reveals that MDA exhibits properties that bridge the characteristics of both the liquid phase and HDA, yet it possesses distinct attributes and a unique formation mechanism. These observations firmly establish MDA as another distinct phase of water.

* VM, DD and IAR acknowledge support from Air Force Office of Scientific Research through MURI Award FA9550-20-1-0351. We thank the Center of High-Performance Computing at the University of Utah for technical support and a grant of computing time.

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Publication: Manuscript in preparation. "What is medium-density amorphous ice?" is currently in the writing and data analysis phase.

Presenters

  • Ingrid de Almeida Ribeiro

    The University of Utah

Authors

  • Ingrid de Almeida Ribeiro

    The University of Utah

  • Debdas Dhabal

    The University of Utah

  • Suvo Banik

    University of Illinois; Argonne National Laboratory, University of Illinois at Chicago

  • Arnab Neogi

    University of Illinois; Argonne National Laboratory

  • Subramanian K Sankaranarayanan

    University of Illinois, Argonne National

  • Valeria Molinero

    The University of Utah