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Filtering by: Date issued sim 2012-06-04 Degree Name Bachelor of Science (B.S.)

Melting Curve of a Lennard-Jones 12-6 System Determined by Coexistence Point Simulations

Creator:

Geerhart, Billy Edward III

Abstract:

This project calculates the melting temperature as a function of pressure for a system defined by the Lennard-Jones 12-6 potential using molecular dynamic simulations. In a single atomistic simulation, the initial conditions are manipulated such that both a liquid and solid phase exist when thermal equilibrium is reached. Phase coexistence...

Resource Type:

Research Paper