Comment on “Frequency dependence and equilibration of the specific heat of glass-forming liquids”

In a recent publication C. C. Yu and H. M. Carruzzo [Phys. Rev. E 69, 051201 (2004)] determined that the minimum sampling time to calculate the specific heat in a supercooled liquid using energy fluctuations is on the order of 10(3) alpha relaxation times, which is much longer than the sampling time...

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Veröffentlicht in:Physical review. E, Statistical, nonlinear, and soft matter physics Statistical, nonlinear, and soft matter physics, 2005-08, Vol.72 (2 Pt 1), p.023201; discussion 023202-023201; discussion 023202, Article 023201
Hauptverfasser: Flenner, Elijah, Szamel, Grzegorz
Format: Artikel
Sprache:eng
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Zusammenfassung:In a recent publication C. C. Yu and H. M. Carruzzo [Phys. Rev. E 69, 051201 (2004)] determined that the minimum sampling time to calculate the specific heat in a supercooled liquid using energy fluctuations is on the order of 10(3) alpha relaxation times, which is much longer than the sampling time used in most simulations. We demonstrate how the specific heat can be calculated from simulations run to 15 alpha relaxation times, and use statistical arguments to explain the systematic deviation of the specific heat calculated from a simulation of finite length from the true expectation value of the specific heat.
ISSN:1063-651X
1539-3755
1095-3787
1550-2376
DOI:10.1103/PhysRevE.72.023201