Pressure dependence of diffusion in simple glasses and supercooled liquids
Using molecular dynamics simulation, we have calculated the pressure dependence of the diffusion coefficient in a binary Lennard-Jones glass. We observe four temperature regimes. The apparent activation volume drops from high values in the hot liquid to a plateau value. Near the critical temperature...
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| Published in | Physical review letters Vol. 88; no. 14; p. 145901 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
United States
08.04.2002
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| Online Access | Get more information |
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| Summary: | Using molecular dynamics simulation, we have calculated the pressure dependence of the diffusion coefficient in a binary Lennard-Jones glass. We observe four temperature regimes. The apparent activation volume drops from high values in the hot liquid to a plateau value. Near the critical temperature of the mode coupling theory it rises steeply, but in the glassy state we find again small values, similar to the ones in the liquid. The peak of the activation volume at the critical temperature is in agreement with the prediction of mode coupling theory. |
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| ISSN: | 0031-9007 |
| DOI: | 10.1103/PhysRevLett.88.145901 |