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Cooperativity, cage effect and hopping diffusion in supercooled liquids and glasses
Molecular dynamic simulations of structure, thermodynamic and kinetic properties of model metallic Ag–Cu alloy are performed to elucidate its behavior at glass transition. In spite of small variations of inherent structure of the alloy the relaxation kinetics undergo dramatic changes at the glas...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2003
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/120747 |
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| Summary: | Molecular dynamic simulations of structure, thermodynamic and kinetic
properties of model metallic Ag–Cu alloy are performed to elucidate its
behavior at glass transition. In spite of small variations of inherent structure
of the alloy the relaxation kinetics undergo dramatic changes at the
glass transition. The time dependences of the mean square displacements
and the non-Gaussianity parameter show the signs of anomalous diffusion
in an intermediate time region. The analysis of time evolution of van Hove
correlation function indicates the existence of both jump displacements and
short-range cooperative atomic rearrangements. Below Tg these cooperative
rearrangements do not contribute to a long-range diffusion but they
still dominate the relaxation at short time. |
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