View Item 
        •   Utrecht University Student Theses Repository Home
        • UU Theses Repository
        • Theses
        • View Item
        •   Utrecht University Student Theses Repository Home
        • UU Theses Repository
        • Theses
        • View Item
        JavaScript is disabled for your browser. Some features of this site may not work without it.

        Browse

        All of UU Student Theses RepositoryBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

        Elasticity and Vacancy Behaviour of Crystals of Hard Cubes

        Thumbnail
        View/Open
        Ploeger_Elasticity_and_Vacancy_Behaviour_of_Crystals_of_Hard_Cubes.pdf (5.420Mb)
        Publication date
        2017
        Author
        Ploeger, M.F.
        Metadata
        Show full item record
        Summary
        In this thesis we examine the effects of vacancies on the elasticity of a simple cubic crystal with cubic particles. We calculate the elastic constants as a function of the vacancy concentration and the packing fraction. Furthermore we examine the correlation between the deformation of the crystal and the direction of the defects caused by vacancies in the crystal, for a shear and a stretch deformation. To this extent we explore two viable simulation techniques: the Monte Carlo and the Event Driven Molecular Dynamics methods. We implement two different methods of calculating the elastic constants in the two respective simulations: calculation by means of global strain fluctuations and calculation by means of the stress-strain relation. We find that for a stable crystal, the elastic constants $C_{11}$ and $C_{44}$ increase as a function of both the packing fraction and the vacancy concentration, while $C_{12}$ decreases. Furthermore we find that there is no correlation between a shear deformation and the direction of the defects. For the stretch deformation, the defects align with the compressed direction.
        URI
        https://studenttheses.uu.nl/handle/20.500.12932/26360
        Collections
        • Theses
        Utrecht university logo