Energy Renormalization to Coarse-Graining of the Dynamics of a Model Glass-Forming Liquid
Wenjie Xia, Jake Song, Nitin Hansoge, Frederick R. Phelan Jr., Sinan Keten, Jack F. Douglas
Soft condensed matters characteristically exhibit a strong temperature dependence of relaxation properties due to glass formation, but currently no effective temperature transferable coarse- graining method exists that allows for the prediction of their dynamic properties. We address this fundamental problem through an energy-renormalization scheme in conjunction with the localization model (LM) of relaxation. Taking ortho-terphenyl (OTP) as a model glass-forming liquid, we show that preserving the Debye-Waller Factor via renormalizing the cohesive interaction under coarse-graining allows for quantitative prediction of both short and long- time dynamics covering the entire temperature range of glass formation.
, Song, J.
, Hansoge, N.
, Phelan Jr., F.
, Keten, S.
and Douglas, J.
Energy Renormalization to Coarse-Graining of the Dynamics of a Model Glass-Forming Liquid, Journal of Physical Chemistry B, [online], https://doi.org/10.1021/acs.jpcb.8b00321
(Accessed September 27, 2023)