MOLECULAR DYNAMICS STUDIES OF SIMPLE MODEL FLUIDS AND WATER CONFINED IN CARBON NANOTUBE

Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. Traditional computational chemistry refers to quantum calculations based on solving Schrodinger equations. Later developed Density Functional Theory (DFT) based on solving Kohn-Sham equations became the more popular ab initio calculation technique which could deal with ~1000 atoms by explicitly considering electron interactions. In contrast, MD simulation based on solving classical mechanics equations of motion is a totally different technique in the field of computational chemistry. Electron interactions were implicitly included in the empirical atom-based potential functions and the system size to be investigated can be extended to ~106 atoms. The thermodynamic properties of model fluids are mainly determined by macroscopic quantities, like temperature, pressure, density. The quantum effects on thermodynamic properties like melting point, surface tension are not dominant. In this work, we mainly investigated the melting point, surface tension (liquid-vapor and liquid-solid) of model fluids including Lennard-Jones model, Stockmayer model and a couple of water models (TIP4P/Ew, TIP5P/Ew) by means of MD simulation. In addition, some new structures of water confined in carbon nanotube were discovered and transport behaviors of water and ions through nano-channels were also revealed.

The Land Grant University Movement and the Future of IANR UAAD

Good afternoon. It is a real pleasure for me to be here with you today, and I thank you for inviting me. I also, as I begin my remarks today, want to thank each of you for the work you do, everyday, to help make this a better university. Please know that work is both valued and appreciated. I'd like to talk with you about a couple of topics today, and after that I'm going to open the floor for questions and comments. I look forward to hearing what you have to say, too. The first topic I'm going to talk about in the next few minutes is our land grant mission. People who know me at all can tell you I am passionate about land grants because I believe being part of a land grant university and helping to advance the land grant mission is one of the great privileges and responsibilities of our times.

Report on Recent Large Bird Ingestions into Transport Turbofan Engines

Today I am going to give you a report on recent bird ingestion events into transport category turbofan engine in commercial service. We are still having these events. We may not ever completely eliminate all such events, but our purpose for meeting is to put all our resources to work to try. The events that I am going to report on today represent some of the more significant events over the last couple of years. The events are significant because of the potential for jeopardizing the safety of the aircraft involved and the aircraft occupants. The events I am going to discuss all involve encounters with large birds. Each situation reflects a bird control issue or event that resulted in a high workload for the flight crew because something out of the ordinary happened that they had to respond to. Some of the situations involve areas outside the US or Canada but serve as a lesson because that the same situation can happen here.