约束晶格密度泛函理论及其在气液相变成核上的应用(英文)

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气液相变是通过成核过程而实现的,根据是否存在外来物,成核过程可以分为均相成核和非均相成核.本文着重介绍了最近提出的约束晶格密度泛函理论及其在气液相变成核上的应用,同时我们也介绍了纳米气泡稳定性研究的一些进展,特别是接触线锚定-过饱和机理的提出.该机理不仅可以解释纳米气泡的大部分特征,更重要的是它暗示了临界核在三相接触线锚定情况下可以稳定存在.依据约束晶格密度泛函理论提出的接触线锚定-过饱和机理,为开发一种临界核的实验测量方法提供了理论基础. The gas-liquid phase change is achieved through the nucleation process, and the nucleation process can be divided into homogeneous nucleation and heterogeneous nucleation depending on the existence of foreign matter.This paper mainly introduces the recently proposed constrained lattice density functional theory And its application in gas-liquid phase transition to nucleus, we also introduce some advances in the study of the stability of nanobubbles, especially the proposed contact-line anchoring-supersaturation mechanism, which not only can explain most of the nano-bubbles Features, and more importantly, it implies that the critical nucleus can exist stably under the condition of three-phase contact line anchoring.According to the mechanism of contact line anchoring and supersaturation proposed by the constrained lattice density functional theory, in order to develop a critical nucleus The experimental measurement method provides the theoretical basis.
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