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CHPC - Research Computing Support for the University

In addition to deploying and operating high performance computational resources and providing advanced user support and training, CHPC serves as an expert team to broadly support the increasingly diverse research computing needs on campus. These needs include support for big data, big data movement, data analytics, security, virtual machines, Windows science application servers, protected environments for data mining and analysis of protected health information, and advanced networking. Visit our Getting Started page for more information.

Role of Stacking Disorder in Nucleation, Growth and Stability of Ice

By Laura Lupi, Arpa Hudait, Baron Peters, and Valeria Molinero, Department of Chemistry

Accurate forecasts of changes in weather and climate rely on the possibility of accurately predictions of the properties of clouds. Rates of ice nucleation, in the temperature ranges relevant for the atmosphere, are usually based on extrapolations using classical nucleation theory (CNT), which assumes that the structure of nanometer-sized ice nuclei correspond to that of bulk hexagonal ice. Here we use molecular dynamics simulations and free energy calculations to show that stacking disordered ice is the stable phase for critical-sized ice nuclei. The finding results in over three orders of magnitude higher nucleation rates with respect to CNT predictions and should have a strong impact on climate models.

System Status

last update: 09/22/17 1:43 am
General Nodes
system procs % util.
ember 876/984 89.02%
kingspeak 860/860 100%
lonepeak 848/1112 76.26%
Restricted Nodes
system procs % util.
ash 7448/7448 100%
apexarch Status Unavailable
ember 816/1316 62.01%
kingspeak 6256/7080 88.36%
lonepeak 80/400 20%

Cluster Utilization

Last Updated: 9/21/17