Does the Sastry transition control cavitation in simple liquids?
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 $\rho < \rho_S$ except when the attractive forces are long-ranged. For mod...
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Zusammenfassung: | 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 $\rho <
\rho_S$ except when the attractive forces are long-ranged. For moderate- and
short-ranged attractions, stable liquids with $\rho > \rho_S$ 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 $T^*$ at which stable $\rho > \rho_S$ liquids emerge
is $\sim 0.84\epsilon/k_B$ for Lennard-Jones liquids; $T^*$ decreases
(increases) rapidly with increasing (decreasing) pair-interaction range. In
particular, for short-ranged potentials, $T^*$ is above the critical
temperature. All liquids' inherent structures are isostructural (isomorphic)
for densities below (above) the Sastry density $\rho_S$. 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. |
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DOI: | 10.48550/arxiv.2007.13942 |