拉伸流体中临界空穴的三抛物自由能平方梯度密度泛函模型研究
Critical cavity in the stretched fluid studied using square-gradient density-functional model with triple-parabolic free energy
摘要：
本文采用具有三抛物自由能的广义平方梯度密度泛函模型，研究了在拉伸液体中引入空穴的稳定性。临界空穴是液体中最大的稳定空穴，它的各种性质与均匀气泡成核的临界气泡的性质进行了比较。根据Punnathanam和Corti [J. Chem. Phys. { \bf 119}，10224（2003）]从Lennard-Jones流体出发的理论，发现临界空穴的尺寸总是小于临界气泡的尺寸，而临界空穴的形成功总是大于临界气泡的形成功。因此，他们关于临界空穴尺寸和形成功的理论，即使对于其它类型的液体，如金属液体或非晶态液体，也是更普遍和有效的。然而，他们在Lennard-Jones流体中发现的临界空穴的标度关系仅在旋节线附近才勉强满足。
英文摘要：
The generic square-gradient density-functional model with triple-parabolic free energy is used to study the stability of a cavity introduced into the stretched liquid. The various properties of the critical cavity, which is the largest stable cavity within the liquid, are compared with those of the critical bubble of the homogeneous bubble nucleation. It is found that the size of the critical cavity is always smaller than that of the critical bubble, while the work of formation of the former is always higher than the latter in accordance with the conjectures made by Punnathanam and Corti [J. Chem. Phys. {\bf 119}, 10224 (2003)] deduced from the Lennard-Jones fluids. Therefore their conjectures about the critical cavity size and the work of formation would be more general and valid even for other types of liquid such as metallic liquid or amorphous. However, the scaling relations they found for the critical cavity in the Lennard-Jones fluid are marginally satisfied only near the spinodal.
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