Application of the molecular dynamics method and the excited state model to the investigation of the glass transition in argon

The glass transition in argon at a high cooling rate is simulated. At a temperature of 50 K (considerably below the melting temperature Tf = 83.8 K), the fluctuation volume fraction reaches the constant value fg ≅ 0.03–0.05, which is close in the order of magnitude to the criterion for the glass tra...

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Published inGlass physics and chemistry Vol. 32; no. 1; pp. 83 - 88
Main Authors Tsydypov, Sh B, Parfenov, A N, Sanditov, D S, Agrafonov, Yu V, Nesterov, A S
Format Journal Article
LanguageEnglish
Published Heidelberg Springer Nature B.V 01.01.2006
Subjects
Argon
Cooling rate
Distribution functions
Excitation
Glass
Glass transition temperature
Melt temperature
Molecular dynamics
Radial distribution
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Summary:The glass transition in argon at a high cooling rate is simulated. At a temperature of 50 K (considerably below the melting temperature Tf = 83.8 K), the fluctuation volume fraction reaches the constant value fg ≅ 0.03–0.05, which is close in the order of magnitude to the criterion for the glass transition in liquids fg = const 0.02–0.03 within the excited state model. At this temperature, the second maximum of the radial distribution function is split as a result of the glass transition at the temperature Tg = 50 K. The approximate empirical “two-thirds” rule Tg = (2/3)Tf is reasonably satisfied for argon. The data obtained are interpreted in the framework of the excited state model.
ISSN:1087-6596
1608-313X
DOI:10.1134/S1087659606010111