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25 January 2000 Structural, thermodynamic, and transport properties of xenon in the supercooled and amorphous states
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Proceedings Volume 4064, Third International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2000) https://doi.org/10.1117/12.375424
Event: Third International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 1999, St. Petersburg, Russian Federation
Abstract
Molecular dynamics calculations are performed, by using a parallel algorithm, to study the supercooled liquid and the liquid-glass transition of xenon. To investigate the competitive role of the three-body interactions, we present and discuss our results for the pair correlation function, the specific heat at constant volume, as well as the mean- square displacement and the velocity autocorrelation function. The three-body contribution, which is found to give properties that predict very closely the available experimental results, plays an important role in describing the physical properties in supercooled and amorphous states and is found to have the effect of increasing the glass transition temperature.
© (2000) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Y. Kadiri, N. Jakse, I. Charpentier, and J.-L. Bretonnet "Structural, thermodynamic, and transport properties of xenon in the supercooled and amorphous states", Proc. SPIE 4064, Third International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (25 January 2000); https://doi.org/10.1117/12.375424
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