Decay of bcc-structure and of bond-orientational order in a fluid |
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Authors: | Siegfried Hess |
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Institution: | Institut Max von Laue-Paul Langevin, Avenue des Martyrs 156X, 38042 Grenoble Cedex, France;Institut für Theoretische Physik der Universität Erlangen-Nürnberg, D 8520 Erlangen, Fed. Rep. Germany |
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Abstract: | The decay of an initially prepared bcc structure and the bond-orientational order (anisotropy of the first coordination shell) are studied in a non-equilibrium molecular dynamics simulation for a fluid of 1024 particles interacting with a repulsive r-12 potential. Data are presented for pair-correlation functions and order parameters associated with an angle dependence described by cubic harmonics of the ranks 4, 6 and 8. These cubic pair-correlation functions and cubic order parameters are defined by the expansion of the pair-correlation function and of the bond orientational distribution function with respect to Cartesian tensors. The relaxation of the local anisotropy shows a pretransformational slowing down for densities approaching the freezing point. |
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