Cooperative Molecular Motions in Water

尤金斯坦利是由理论和计算化学计划的支持，研究水在过冷制度的异常动力学，并确定这种行为如何与水的局部结构。 他的第一个项目将研究导致这种异常行为的潜在机制。 此外，他将批判性地探索液-液相变假设，试图证实或反驳这一假设，并将这项工作扩展到水的其他材料，可能会经历液-液相变。 他的第二个项目将探索低温下位形空间中的势能面（PES）。 氢键网络的微观重组影响PES盆地之间的过渡的方式将被研究，沿着确定什么样的热力学行为被发现接近玻璃化转变温度。 最后，将努力扩展上述研究，以研究边界的引入如何影响水分子的整体系统。 该项目的成果有望提高对基本现象影响的认识，如对承压水中发生的生物重要过程的疏水效应。水是一种重要的流体。 尽管多年来人们已经对其进行了广泛的研究，但水的重要且不寻常的性质仍然没有完全被理解。 这项研究的结果将有助于加深对水如何形成网络结构的理解。 这些网络结构影响溶液中生物分子的行为和地质上重要的矿物-水相互作用。

Eugene Stanley is supported by the Theoretical and Computational Chemistry Program to study the anomalous dynamics of water in the supercooled regime, and determine how this behavior relates to the local structure of water. His first project will examine the underlying mechanism that causes this anomalous behavior. Moreover, he will explore critically the liquid-liquid phase transition hypothesis, attempt to either substantiate or refute this hypothesis, and extend this work on water to those other materials that may undergo a liquid-liquid phase transition. His second project will explore the potential energy surface (PES) in configuration space at low temperature. The way in which microscopic restructuring of the hydrogen-bonded network affects the transitions between basins of the PES will be studied, along with determining what kinds of thermodynamic behavior are found close to the glass transition temperature. Finally, efforts will be made to extend the above studies to examine how the introduction of boundaries affects an otherwise bulk system of water molecules. Outcomes from this project are expected to improve the understanding of the effects of basic phenomena such as the hydrophobic effect on biologically significant processes that occur in confined water.Water is an important fluid. Although it has been studied extensively for many years, water's important and unusual properties are still not completely understood. The outcomes of this research will enable increased understanding of how water forms network structures. These network structures impact the behavior of biomolecules in solution and geologically significant mineral-water interactions.