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- W1995710045 abstract "Abstract A mean threedimensional density distribution is determined by comparing the surroundings of all atoms of a melt. Contrary to the definition of the pair distribution function, the surroundings of the different atoms are allowed to rotate against each other before being added up. The rotationally ordered distribution (ROD) function is the sum of the surroundings of all atoms rotated against each other until they give maximum overlap. An investigation of molecular dynamics results for molten KCl gives 6 nearest neighbourpeaks in a distorted cubic primitive arrangement. If the K + or Cl - -ions are considered separately, the surrounding gives 12 nearest neighbourpeaks in a thoroughly distorted face centered cubic arrangement, These results confirm the interpretation of the structure of the melt as a para crystal line distorted lattice and the results of an earlier threedimensional analysis of the structure of molten lead." @default.
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- W1995710045 date "1977-12-01" @default.
- W1995710045 modified "2023-09-26" @default.
- W1995710045 title "Rotationally Ordered Distribution of Ions in a Melt Simulated by Molecular Dynamics" @default.
- W1995710045 doi "https://doi.org/10.1515/zna-1977-1213" @default.
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