This title appears in the Scientific Report :
2012
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.85.024204 in citations.
Please use the identifier: http://hdl.handle.net/2128/10883 in citations.
Modeling aging rates in a simple glass and its melt
Modeling aging rates in a simple glass and its melt
We calculated with a molecular dynamics simulation the aging rates in a binary Lennard-Jones glass and its undercooled melt. At temperatures above the mode coupling theory (MCT) critical temperature T-c, pressure or volume, internal energy, and diffusivity age with the same rate. Below T-c we see a...
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Personal Name(s): | Schober, H.R. |
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Contributing Institute: |
Theoretische Nanoelektronik; PGI-2 |
Published in: | Physical Review B Physical review / B, 85 85 (2012 2012) 2 2, S. 024204 024204 |
Imprint: |
College Park, Md.
APS
2012
|
Physical Description: |
024204 |
DOI: |
10.1103/PhysRevB.85.024204 |
Document Type: |
Journal Article |
Research Program: |
Grundlagen für zukünftige Informationstechnologien |
Series Title: |
Physical Review B
85 |
Subject (ZB): | |
Link: |
Get full text OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/10883 in citations.
We calculated with a molecular dynamics simulation the aging rates in a binary Lennard-Jones glass and its undercooled melt. At temperatures above the mode coupling theory (MCT) critical temperature T-c, pressure or volume, internal energy, and diffusivity age with the same rate. Below T-c we see a split of the aging rates into a fast one for the diffusivity and a much slower one for pressure or volume and internal energy. The latter aging rate is roughly proportional to the diffusivity. The observed stretched exponential behavior is shown to stem from the faster aging of the diffusivity. Aging of of internal energy and pressure proceeds exponentially with the mean-square displacement. The exponential prefactor exhibits the kink at T-c seen earlier in the pressure dependence of the diffusivity. |