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Does the Sastry transition control cavitation in simple liquids?
Caitlin M Gish1, Kai Nan1, Robert S Hoy1
1Department of Physics, University of South Florida, Tampa, Florida 33620, USA.
The Journal of Chemical Physics
|November 14, 2020
Summary
The Sastry transition influences cavitation in liquids, particularly those with short-range attractions. For most simple liquids, cavitation barriers are vibrational and entropic, not configurational.
Area of Science:
- Thermodynamics
- Statistical Mechanics
- Materials Science
Background:
- The Sastry transition, or athermal cavitation, is a critical phenomenon in liquid behavior.
- Understanding cavitation barriers is crucial for predicting material stability under dynamic conditions.
Purpose of the Study:
- To investigate the Sastry transition in model monatomic liquids using various pair potentials.
- To determine the influence of attractive force range on liquid structure and cavitation.
Main Methods:
- Simulations of liquids with Lennard-Jones, short-range, and long-range potentials.
- Analysis of liquid density (ρ), temperature (T*), and pressure under varying conditions.
Main Results:
- Stable liquids with ρ > ρS emerge at higher temperatures for moderate- and short-ranged attractions.
- The temperature T* for Lennard-Jones liquids is ~0.84ϵ/kB, sensitive to interaction range.
- Liquid structures are isostructural below and above the Sastry density (ρS).
Conclusions:
- Cavitation barriers in most simple liquids are primarily vibrational-energetic and entropic.
- Liquids with long-ranged pair interactions, like alkali metals, may be exceptions.
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