Molecular Dynamics Studies of Glassy States: Supercooled    Liquids and Amorphized Solids
{'Code': '03090004', 'Directorate': {'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Richard Hilderbrandt'}
In this project in the Theoretical and Computational Chemistry                  Subprogram of the Physical Chemistry Program, Yip will                          investigate the molecular structure and dynamics of liquids and                 solids in various stages of vitrification and amorphization.                    Time correlation functions of local density, momentum, energy,                  and stress will be studied and combined with thermodynamic,                     structural, transport, and viscoelastic properties to provide a                 unified molecular description of glassy states of matter.                       Molecular dynamics and Monte Carlo simulations will be carried                  out to study model systems of liquids and crystals composed of                  one and two atomic species which have been perturbed under                      well-characterized thermal, stress, or irradiation                              environments.  The simulation results will be used to test                      current theories, elucidate and correlate different types of                    experimental data, and motivate new theoretical descriptions of                 supercooled liquids and amorphized solids.  Of particular                       interest is a temperature region in supercooling which is                       distinctly above the conventional glass transition point and                    where a dynamical crossover apparently occurs.
{'FirstName': 'Sidney', 'LastName': 'Yip', 'EmailAddress': 'syip@mit.edu', 'StartDate': '08/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Massachusetts Institute of Technology', 'CityName': 'Cambridge', 'ZipCode': '021394301', 'PhoneNumber': '6172531000', 'StreetAddress': '77 MASSACHUSETTS AVE', 'CountryName': 'United States', 'StateName': 'Massachusetts', 'StateCode': 'MA'}
{'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8806767.xml'}