Comparison of Botanical Composition, Soil Carbon Content, and Root Distribution of Subirrigated Meadows in The Nebraska Sandhills

Characterizing vegetation composition, carbon/nitrogen (C/N) content of soils, and root-mass distribution is critical to understanding carbon sequestration potential of subirrigated meadows in the Nebraska Sandhills. Five subirrigated meadows dominated by cool-season (C3) graminoids and five meadows dominated by warm-season (C4) grasses were selected throughout the Nebraska Sandhills. Vegetation, soil carbon and nitrogen, and root-mass density distribution were sampled in each meadow. Meadows dominated by C3 vegetation had 12% greater (P < 0.1) yields than meadows dominated by C4 vegetation. Total root-mass density was 30% greater (P < 0.1) in C4-dominated meadows than C3-dominated meadows. Total carbon and nitrogen content was 65% and 53% greater (P < 0.1), respectively, in the A horizon of C3-dominated meadows, but was 43% and 52% greater (P < 0.1), respectively, in the C horizon of C4-dominated meadows. Although meadows dominated by C3 vegetation had more carbon in the soil profile, much of the carbon in C3-dominated meadows appeared to be recalcitrant C4 carbon from historic vegetation.

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.