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We have simulated the dynamics of a two-dimensional system of hard ellipses by event-oriented molecular dynamics in microcanonical NVE ensemble. Various quantities, namely longitudinal and transverse velocity auto-correlation functions, translational and rotational diffusion mean-squared displacements, pressure, intermediate self-scattering function, radial distribution function, and angular spatial correlation, have been obtained and their dependence on packing fraction is characterized. Despite absence of prominent positional ordering, the orientational degree of freedom behaves nontrivially and exhibits interesting features. Slowing down is observed in the angular part of the motion near isotropic-nematic phase transition. It is shown that above a certain packing fraction the rotational mean-squared displacement exhibits a three-stage temporal regime including a plateau. Comparison to 2D system of hard needles is made and it is shown that from positional viewpoint, the ellipse system is more ordered.

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Molecular dynamics (MD) simulations were performed to investigate the influence of nickel (Ni) composition and nanowire thickness on the thermal properties of Al-x%Ni (at%) nanowires using the embedded atom model (EAM) potential. The melting of the nanowire was characterised by studying the temperature dependence of the cohesive energy and mean square displacement. The effect of the nanowire thickness on the cohesive energy, melting temperature, heat capacity as well as latent heat was studied in canonical ensemble. Moreover, the crystal stability of Al, Al-20%Ni, Al-40%Ni, Al-60%Ni, Al-80%Ni, Al 3 Ni, Ni 3 Al and Ni nanowires was studied at different temperatures using mean square displacement and cohesive energy.

We have simulated the dynamics of a 2D gas of hard needles by event-oriented molecular dynamics. Various quantities namely translational and rotational diffusion constants and intermediate self-scattering function have been explored and their dependence on density is obtained. Despite absence of positional ordering, the rotational degree of freedom behaves nontrivially. Slowing down is observed in the angular part of the motion. It is shown that above a certain density the rotational mean-square displacement exhibits a three-stage regime including a plateau.