PMID: 15244812Jul 13, 2004Paper

Frequency dependence and equilibration of the specific heat of glass-forming liquids

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Clare C Yu, Hervé M Carruzzo

Abstract

We have performed molecular dynamics simulations on a glass-forming liquid consisting of a three-dimensional binary mixture of soft spheres. We show that a peak in the specific heat versus temperature can occur because a glassy system that shows no signs of aging progresses so slowly through the energy landscape that the minimum sampling time needed to obtain accurate thermodynamic averages exceeds the observation time. We develop a systematic technique to determine the equilibrium value of the specific heat and the minimum sampling time. Below the temperature of the specific heat peak, the minimum sampling time is orders of magnitude longer than the alpha relaxation time. We find that an equilibrium system that is not undergoing structural relaxation or aging has a frequency dependent specific heat that rises as the frequency decreases. The rise occurs at frequencies corresponding to periods that are long enough for the system to sample statistically independent energies. When the period is comparable to the minimum sampling time, the frequency dependent specific heat reaches a plateau. As a result, the specific heat has a frequency dependence at frequencies orders of magnitude lower than is implied by the inverse alpha relaxa...Continue Reading

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Citations

Jan 3, 2013·The Journal of Chemical Physics·Jonathan R Brown, John D McCoy
Aug 6, 2005·The Journal of Chemical Physics·Dmitry V Matyushov, C A Angell
May 24, 2011·The Journal of Chemical Physics·Jonathan R Brown, John D McCoy
Mar 17, 2007·The Journal of Chemical Physics·Dipti Sharma, Germano S Iannacchione
Nov 21, 2007·The Journal of Chemical Physics·Stephen R Williams, Denis J Evans
Sep 23, 2009·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Artjom Vargunin
Apr 12, 2006·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·L A FernándezP Verrocchio
May 16, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Tage ChristensenJeppe C Dyre
Jan 30, 2020·Proceedings of the National Academy of Sciences of the United States of America·Jong H NaWilliam L Johnson
Mar 16, 2007·Physical Review Letters·Zhi Chen, Clare C Yu
Mar 16, 2007·Physical Review Letters·L A FernándezP Verrocchio
Oct 4, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Elijah Flenner, Grzegorz Szamel
Sep 26, 2012·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Sungho Han, Clare C Yu
May 16, 2007·Physical Review Letters·Andrea CavagnaPaolo Verrocchio
Sep 28, 2010·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·L A FernándezP Verrocchio
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