Decay of BCC-structure and of bond-orientational order in a fluid (Q1089209)
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English | Decay of BCC-structure and of bond-orientational order in a fluid |
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Decay of BCC-structure and of bond-orientational order in a fluid (English)
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1984
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The decay of an initially prepared body-centered-cubic 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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body-centered-cubic structure
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bond-orientational order
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first coordination shell
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non-equilibrium molecular dynamics
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pair-correlation functions
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cubic harmonics
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cubic pair-correlation functions
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order parameters
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expansion of the pair-correlation function
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bond orientational distribution function
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Cartesian tensors
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relaxation
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local anisotropy
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freezing point
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