• Corpus ID: 208858299

# The uncertainty of glass transition temperature in molecular dynamics simulations and numerical algorithm for its unique determination

@article{Chtchelkatchev2019TheUO,
title={The uncertainty of glass transition temperature in molecular dynamics simulations and numerical algorithm for its unique determination},
author={N M Chtchelkatchev and Roman Ryltsev},
journal={arXiv: Chemical Physics},
year={2019}
}
• Published 6 December 2019
• Materials Science
• arXiv: Chemical Physics
When the cooling rate $v$ is smaller than a certain material-dependent threshold, the glass transition temperature $T_g$ becomes to a certain degree the "material parameter" being nearly independent on the cooling rate. The common method to determine $T_g$ is to extrapolate viscosity $\nu$ of the liquid state at temperatures not far above the freezing conditions to lower temperatures where liquid freezes and viscosity is hardly measurable. It is generally accepted that the glass transition…

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