| EPSRC Reference: |
GR/L79106/01 |
| Title: |
VIBRATIONAL LOCALIZATION & LOW-FREQUENCY ANOMALIES IN GLASSES: A NOVEL ANALYTICAL & NUMERICAL APPROACH |
| Principal Investigator: |
Elliott, Professor SR |
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| Department: |
Chemistry |
| Organisation: |
University of Cambridge |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
29 May 1998 |
Ends: |
28 May 2001 |
Value (£): |
103,548
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Construction of structural models using molecular dynamics simulations and ab initio energy minimisation. Recursion or direct diagnolisation of vibrational dynamical matrices for models. Development of analytical theory of atomic vibrations in disordered solids based on eigenvalues and eigenvectors obtained numerically. Analytical investigation of vibrational localisation in high-frequency band tails and quasi-localisation in low-frequency range. Development of a new Boson peak model. Search for two-level systems in models. Exploration of medium- and extended range order and their possible connection to dynamical properties of glasses.Substances chosen for investigation: a-Se, a-s2S3, a-SiO2, and a-Si.Model size: a few tens of thousands atoms in molecular dynamics-constructed systems and 10-100 atoms in systems constructed by ab initio energy minimisation.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.cam.ac.uk |