Driven simulations of the dynamic heat capacity
作者： Jonathan R. Brown , John D. McCoy , Douglas B. Adolf
DOI: 10.1063/1.3231605
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摘要: The dynamic heat capacity is calculated from molecular dynamics simulations of a model glass former simple bead-spring chains. temperature directly modulated and the energy tracked. frequency-dependent found as complex response function. There agreement both with related formers an energy-landscape-based, two state model. In particular, at high packing fraction, low frequency loss peak seen to split main, peak. This describes configurational contribution associated transition. Although current application in linear regime, this methodology paves way for studies nonlinear that parallel experiment.
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