Invariants of spherical harmonics as order parameters in liquids: comparison of the structure of a molten and glassy alkali halide
✍ Scribed by Andras Baranyai; László Pusztai; Imre Ruff
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 469 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0013-4686
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✦ Synopsis
The second order invariants of spherical harmonics for the geometrical characterization of clusters in disordered systems is applied for the comparison of computer simulated configurations of molten and glassy rubidium bromide. The latter has been obtained by the Stillinger method leading to the "inherent" liquid structure. It is shown that the rotational invariants of spherical harmonics characterize the inherent structure even when vibrations are not damped at all. Angular correlation between the positions of closest neighbours proved to be identical in liquid and glassy state, whereas radial pair correlation functions show considerable difference.