English

Does the Sastry transition control cavitation in simple liquids?

Soft Condensed Matter 2020-07-29 v1 Statistical Mechanics

Abstract

We examine the Sastry (athermal cavitation) transitions for model monatomic liquids interacting via Lennard-Jones as well as shorter- and longer-ranged pair potentials. Low-temperature thermodynamically stable liquids have ρ<ρS\rho < \rho_S except when the attractive forces are long-ranged. For moderate- and short-ranged attractions, stable liquids with ρ>ρS\rho > \rho_S exist at higher temperatures; the pressures in these liquids are high, but the Sastry transition may strongly influence their cavitation under dynamic hydrostatic expansion. The temperature TT^* at which stable ρ>ρS\rho > \rho_S liquids emerge is 0.84ϵ/kB\sim 0.84\epsilon/k_B for Lennard-Jones liquids; TT^* decreases (increases) rapidly with increasing (decreasing) pair-interaction range. In particular, for short-ranged potentials, TT^* is above the critical temperature. All liquids' inherent structures are isostructural (isomorphic) for densities below (above) the Sastry density ρS\rho_S. Overall, our results suggest that the barriers to cavitation in most simple liquids under ambient conditions where significant cavitation is likely to occur are primarily vibrational-energetic and entropic rather than configurational-energetic. The most likely exceptions to this rule are liquids with long-ranged pair interactions, such as alkali metals. The most likely exceptions to this rule are liquids with long-ranged pair interactions, such as alkali metals.

Keywords

Cite

@article{arxiv.2007.13942,
  title  = {Does the Sastry transition control cavitation in simple liquids?},
  author = {Caitlin M. Gish and Kai Nan and Robert S. Hoy},
  journal= {arXiv preprint arXiv:2007.13942},
  year   = {2020}
}

Comments

9 pages, 6 figures

R2 v1 2026-06-23T17:27:05.100Z