The Thermodynamics of Small Systems: A Tool for the Self-Assembly of Nanomaterials
Final rept. 1 Nov 2003-31 Oct 2004
SCIENTIFIC SIMULATION SERVICES MANCHESTER (UNITED KINGDOM)
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This report results from a contract tasking Scientific Simulation Services as follows The contractor will conduct a comprehensive review of the studies of thermodynamics of small systems, including under non-negligible gravity, and its application to processing. The contractor will develop a computer program that starts with input of the materials thermodynamic equations of state in the thermodynamic limit, and predicts the state and profiles of the inhomogeneous small system in a gravitational field. The contractor will predict the properties of a fluidized system of nano-particles and its phase and state behavior under gravity. The contractor will test that prediction against a granular dynamics computer simulation of the steady-state properties of a system of nano-particles under gravity.