Comparisons of chemical dynamics simulations and experiments have shown that the simulations give accurate efficiencies for energy transfer at hydrocarbon interfaces, including quantum state-to-state energy transfer. This seminar will discuss recent simulations of heat transfer at the interface of two diamond nano-surfaces, and of the energy transfer and fragmentation dynamics of stretched molecules. The former will address the effects of an applied force, temperature, and nano-surface size on the heat transfer. An interesting feature of the latter is the change in the molecule's potential energy surface as it is stretched. Molecules become stretched in many confined environments, where they are under stress, as at a sliding interface.

Recent relevant TTU News Features on the web:

• http://www.depts.ttu.edu/vprgs/hase.php
• http://www.depts.ttu.edu/communications/news/stories/08/01-chemical-reaction.php
• http://www.depts.ttu.edu/communications/newsletter/stories/06April/chemistry.php