U.S.-Japan Cooperative Science: Molecular Motions in Water

Trustees Of Boston University, Boston

Investigators

Abstract

0003685 Stanley This award supports a three-year collaborative research project between Dr. H. Eugene Stanley of Boston University and Professor Masaki Sasai of Nagoya University in Japan. The researchers will be undertaking a spectroscopic study of cooperative molecular motions in water. The aim of the research is to obtain a unified view of the thermodynamic and dynamic properties of water by analyzing the cooperative motions of water molecules. Water has many strange properties, some of which provide important clues for understanding its behavior. One such remarkable feature is the existence of two amorphous phases at low temperature; low-density amorphous ice (LDA) and high-density amorphous ice (HDA). In order to obtain reliable information on systems with sufficiently large correlation length, MD simulations of significantly larger systems are necessary. By using the Fast Multipole Method, the MD simulation of the system containing up to 10/6 molecules will be performed and the thermal fluctuation in the supercooled region will be analyzed. Metastable phases of various forms of ices and the amorphous phases will be experimentally examined and transformations among them will be investigated. The project brings together the efforts of two laboratories that have complementary expertise and research capabilities. By summarizing the data of experiments, MD simulations, and the statistical mechanical models, the phase diagram of water will be studied. Results of the research will help to reveal the physical basis of the singular behavior of water. This research advances international human resources through the participation of a postdoc and graduate students. Through the exchange of ideas and technology, this project will broaden our base of basic knowledge and promote international understanding and cooperation. The researchers plan to publish results of the research in scientific journals and report on the findings at scientific meetings.