Molecular Dynamics Study of a Thermal Expansion Coefficient: Ti Bulk with an Elastic Minimum Image Method

Physics – Computational Physics

Scientific paper

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4 pages, 3 figures

Scientific paper

Linear thermal expansion coefficient (TEC) and specific heat of Ti bulk is investigated by means of molecular dynamics simulation. Elastic Minimum Image Convention of periodic boundary conditions is introduced to allow the bulk to adjust its size according to the new temporarily fixed temperature. The TEC and the specific heat of Ti are compared to the available theoretical and experimental data.

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