Structure, dynamics and multiple length-scales in network-forming materials
Relationships between the structural and dynamical properties of network-forming materials are investigated. A generic model is utilised for systems of stoichiometry MX2 which are linked in the sense that they can all be usefully considered as constructed from linked MX4 tetrahedra. A single model p...
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| Ձևաչափ: | Journal article |
| Հրապարակվել է: |
IOP Publishing
2016
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| Ամփոփում: | Relationships between the structural and dynamical properties of network-forming materials are investigated. A generic model is utilised for systems of stoichiometry MX2 which are linked in the sense that they can all be usefully considered as constructed from linked MX4 tetrahedra. A single model parameter (the anion polarizability) is varied systematically to control the mean MXM bond angles (and hence the network topologies). The networks evolve from those dominated by cornersharing units to those dominated by edge-sharing structural motifs. These changes are accompanied by changes in the characteristic length-scales, with the emergence of ordering on intermediate length-scales. Key dynamical properties (the liquid relaxation just above the melting point and the liquid fragility) are studied and their relationship to the underlying static structure analysed. |
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