Abstract
Small clusters of Ni atoms are known to exhibit a phase transition from solidlike phase to a liquidlike phase. We perform classical molecular dynamics simulations of clusters of 6 and 13 atoms, using the many-body Gupta potential and compute the Lyapunov exponent of the system as a function of temperature. The Lyapunov exponent, which characterises the exponential divergence of trajectories in the phase space, has a crossover at the melting point, indicating that there is a dynamical transition from one chaotic regime to another when the cluster melts.
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Mehra, V., Ramaswamy, R. (1998). Lyapunov Exponent at the Melting Transition in Small Ni Clusters. In: Kumar, V., Sengupta, S., Raj, B. (eds) Frontiers in Materials Modelling and Design. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-80478-6_21
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DOI: https://doi.org/10.1007/978-3-642-80478-6_21
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