论文标题
SASTRY过渡控制空化是否在简单的液体中?
Does the Sastry transition control cavitation in simple liquids?
论文作者
论文摘要
我们检查了通过Lennard-Jones相互作用的模型的模型液体以及较短和较长的成对电位的模型的模型液体。低温热力学稳定的液体具有$ρ<ρ_s$,除非有吸引力的力量长。对于中等和短程的景点,具有$ρ>ρ_s$的稳定液体在较高的温度下存在;这些液体中的压力很高,但是在动态静水压膨胀下,SASTRY转变可能会强烈影响它们的空化。温度$ t^*$在Lennard-Jones Liquid的稳定$ρ>ρ_s$ liquids的出现为$ \ sim0.84ε/k_b $; $ t^*$随着(减小)配对范围的增加(减少)迅速减少(增加)。特别是,对于短程电位,$ t^*$高于临界温度。所有液体的固有结构都是下方密度(以上)SASTRY密度$ρ_s$的同源结构(同构)。总体而言,我们的结果表明,在可能发生重大空化的环境条件下,在大多数简单液体中的空化障碍主要是振动 - 能源和熵,而不是构型能源。该规则最有可能的例外是具有长期相互作用的液体,例如碱金属。该规则最有可能的例外是具有长期相互作用的液体,例如碱金属。
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 $ρ< ρ_S$ except when the attractive forces are long-ranged. For moderate- and short-ranged attractions, stable liquids with $ρ> ρ_S$ 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 $ρ> ρ_S$ liquids emerge is $\sim 0.84ε/k_B$ 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 $ρ_S$. 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.