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Showing 1–4 of 4 results
Advanced filters: Author: Ali Eltareb Clear advanced filters
  • The behavior of liquids approaching the glass state is significantly influenced by their configurational entropy, which is crucial for understanding their dynamics and thermodynamics. This study successfully extends the potential energy landscape formalism to quantum liquids, demonstrating that configurational entropy can be defined similarly to classical liquids and that the Adam-Gibbs relation holds.

    • Yang Zhou
    • Ali Eltareb
    • Nicolas Giovambattista
    ResearchOpen Access
    Nature Communications
    P: 1-12
  • Recently, a medium-density amorphous ice (MDA) was synthesized via ball-milling of hexagonal ice, adding complexity to our understanding of the phase diagram of supercooled water and amorphous ice. Here, the authors use molecular dynamics simulations to show that, depending on the employed pressure, isobaric cooling can generate a continuum of amorphous ices with densities that expand in between those of low- and high-density amorphous ices, with some of these amorphous ices being remarkably similar to MDA.

    • Ali Eltareb
    • Gustavo E. Lopez
    • Nicolas Giovambattista
    ResearchOpen Access
    Communications Chemistry
    Volume: 7, P: 1-11
  • The potential energy landscape formalism is a powerful tool within statistical mechanics to study the thermodynamic properties of classical low-temperature liquids and glasses. Here, the authors use path-integral molecular dynamics simulations to demonstrate that the formalism can also be used to describe quantum mechanical molecular liquids such as water.

    • Ali Eltareb
    • Yang Zhou
    • Nicolas Giovambattista
    ResearchOpen Access
    Communications Chemistry
    Volume: 7, P: 1-13