Critical Cavities and Homogeneous Bubble Nucleation in Superheated Liquids

大卫S.普渡大学的Corti在理论和计算化学项目的支持下，开发了过热液体中均匀气泡成核的分子理论。 各种理论和分子模拟方法被用来研究几种模型液体中空穴和气泡的形成。 其目标是提供一个改进的基于分子的理解在液体中的一阶相变。 调查正在进行中，以了解统计力学的过热液体中预测的不稳定性的轨迹的起源，和空腔创建和气泡形成之间的连接。这些信息可以准确地定量预测液体中的气泡成核速率，并将作为修改当前使用的唯象方法的指南。 这项工作在提高我们对液相和相变的理解方面产生了更广泛的影响，这与材料加工和制造有关。 参与这项研究的学生在统计力学，热力学和分子模拟方面有坚实的基础。 研究结果为课堂讨论气泡成核的分子描述提供了材料。 这些讨论带来了来自不同研究领域的本科生掌握的前沿研究问题。

David S. Corti of Purdue University is supported by the Theoretical and Computational Chemistry Program to develop a molecular theory of homogeneous bubble nucleation in superheated liquids. A variety of theoretical and molecular simulation methods are in use to study cavity and bubble formation in several model liquids. The goal is to provide an improved molecular-based understanding of first-order phase transitions in liquids. Investigations are underway to understand the statistical mechanical origin of the locus of instability predicted in superheated liquids, and the connection between cavity creation and bubble formation. This information is leading to accurate quantitative predictions of bubble nucleation rates in liquids, and will serve as a guide to modifications of phenomenological approaches currently in use. This work is having a broader impact in increasing our understanding of the liquid phase and phase transitions, which has relevance in material processing and manufacturing. Students involved in this research receive a solid foundation in statistical mechanics, thermodynamics and molecular simulation. Results of the research provide material for classroom discussions of the molecular-based description of bubble nucleation. These discussions bring cutting-edge research problems within the grasp of undergraduates from diverse areas of study.