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首页> 外文期刊>The Journal of Chemical Physics >Critical cavity in the stretched fluid studied using square-gradient density-functional model with triple-parabolic free energy
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Critical cavity in the stretched fluid studied using square-gradient density-functional model with triple-parabolic free energy

机译:使用三重抛物线自由能的方梯度密度函数模型研究拉伸流体的临界腔

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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. 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.
机译:具有三抛物线自由能的通用正方形梯度密度泛函模型用于研究引入拉伸液体中的空腔的稳定性。将临界腔的各种特性与液体中均匀气泡成核的临界气泡的那些特性进行比较,该特性是液体中最大的稳定腔。根据Punnathanam和Corti的猜想,发现临界腔的尺寸总是小于临界气泡的尺寸,而前者的形成功总是比后者的高。化学物理119,10224(2003)]从Lennard–Jones流体推导而来。因此,即使对于其他类型的液体,例如金属液体或无定形,它们关于临界腔尺寸和地层功的推测也将更为普遍和有效。但是,他们在Lennard-Jones流体的临界腔中发现的比例关系仅在旋节线附近才勉强满足。

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