Physics Department Seminar University of Alaska Fairbanks

J O U R N A L    C L U B

Atomistic Simulations of Materials in Extreme Conditions
I. I. Oleynik
Dept. of Physics, University of South Florida

The behavior of materials under extreme pressures and temperatures is a scientific issue of fundamental importance. Geophysical processes in the core of planets, materials withstanding hypervelocity impacts of comets, shock wave compression and detonation of explosives and even the question of the extraterrestrial origin of life on Earth are phenomena that require fundamental understanding of physics and chemistry of materials behavior in extreme conditions. Materials subjected to these conditions are excellent objects for applying atomic scale simulation techniques to investigate the underlying physics and chemistry of compression, chemical and mechanical transformations. For example, processes of shock compression and detonation often take place at sub-picosecond and sub-nanometer time and length scales which makes them difficult or even impossible to study using experimental techniques. In this talk, I will present several examples of successful applications of atomic-scale simulation techniques, such as classical molecular dynamics and first-principles density functional theory (DFT), aimed at providing an insight into atomic-scale processes in shock-compressed materials. In particular, I will discuss our recent results of large-scale molecular dynamics simulations of shock-wave propagation in diamond single crystals.

Tuesday, 25 March 2008
Globe Room, Elvey Building
3:45 PM