NSF-CGP Fellowship Program: Computational Analysis of PhaseEquilibria and Nucleation in Fluids

小行星9403026 该奖项用于资助内布拉斯加大学林肯分校化学系的Xiao Zeng博士与京都大学分子工程系的Koichiro Nakanishi教授一起进行为期四个月的研究的差旅费。这项研究需要研究流体中的相平衡和成核。 气液相转变的动力学从成核过程开始，该成核过程涉及从亚稳态越过势垒到达结晶稳定相的过程。 利用经典的成核理论， 依赖率仍然无法解释。最近，二维系统，如单分子膜，允许在微观水平上的相变动力学的研究。 该项目将使曾博士能够加入Nakanishi博士和他在日本的研究小组，他最近在材料科学中研究了各种问题，涉及统计力学方法和密度泛函技术的应用。京都的研究小组利用与流体相平衡有关的蒙特卡罗计算进行了大量的计算机建模工作。该项目汇集了研究人员的互补研究兴趣。 该奖项由日本基金会全球伙伴关系中心（CGP）根据NSF-CGP科学奖学金计划资助。 ***

9403026 Zeng This award supports the travel expenses for Dr. Xiao Zeng, Department of Chemistry at the University of Nebraska at Lincoln, to spend four months conducting research with Professor Koichiro Nakanishi in the Division of Molecular Engineering at Kyoto University. The research entails studies of phase equilibria and nucleation in fluids. The kinetics of gas to liquid phase transition starts from a nucleation process which involves the passage from a metastable state over a barrier to reach a thermodynamically stable phase. Using classical nucleation theory, discrepancies in temperature dependence rates remain unexplained. Recently, two-dimensional systems, such as monolayers, permit the study at the microscopic level of the kinetics of the phase transition. This project will allow Dr. Zeng, who recently has worked on a variety of problems in the materials sciences involving the application of statistical mechanical methods and density functional techniques, to join Dr. Nakanishi and his group of researchers in Japan. The team at Kyoto has conducted extensive work on computer modeling using Monte Carlo calculations concerned with fluid phase equilibrium. The project brings together the complementary research interests of the investigators. The award is funded under the auspices of the Center for Global Partnership (CGP) of the Japan Foundation under the NSF-CGP Science Fellowship Program. ***