Controlling a FCC/fluid-interface with umbrella sampling: A simulation study on the crystallization and melting of nearly hard spheres

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Bachelor Thesis

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Abstract

Using simulations, we study the fluid/solid-interface in which the particles interact with the Weeks-Chandler-Andersen potential. We measure the average local bond order parameters were measured to study their behaviour at the interface between the two coexisting bulk phases. Subsequently, we employ the umbrella sampling technique using the globally averaged bond order parameters to investigate crystal growth and crystal melting of this system.

Keywords

simulation, phase coexistence, interface, umbrella sampling, crystallization, melting, nearly hard spheres, FCC, fluid

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