Thesis

### Molecular dynamics studies of anomalous properties in network-forming materials

Abstract:

Molecular dynamics simulations are used to investigate the anomalous properties, for instance, the density maxima, found in network-forming materials. In particular, we adopt the Polarisable-Ion Model (PIM) as the potential energy model used for the simulations. The advantage of employing this model is that only one parameter, the anion polarisability, is varied whilst others are kept fixed; therefore, we can systematically study how it affects these anomalous properties. The increase in t...

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### Authors

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Research group:
Wilson Group
Oxford college:
Linacre College
Role:
Author

#### Contributors

Division:
MPLS
Department:
Chemistry
Role:
Supervisor
More from this funder
Funding agency for:
Temaismithi, J
Publication date:
2012
Type of award:
MSc by Research
Level of award:
Masters
Awarding institution:
University of Oxford
Language:
English
Keywords:
Subjects:
UUID:
uuid:6e601942-380c-4bac-803c-dd5ce6d74f61
Local pid:
ora:7323
Deposit date:
2013-09-18