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Melting of monatomic glass with free surfaces

V. H. Vo * Quy-Dong To 1
* Corresponding author
1 Heat and mass transfer
MSME - Laboratoire de Modélisation et Simulation Multi Echelle
Abstract : Melting of monatomic glass with free surfaces has been studied by molecular dynamics simulations in models with Lennard-Jones-Gauss interatomic potential. Models have been heated up from a glassy state toward a normal liquid state. Atomic mechanism of melting has been analyzed via monitoring spatio-temporal arrangements of liquid-like atoms occurred during heating process. Liquid-like atoms are detected via the Lindemann criterion of melting. It is clear that the transition from glass into supercooled liquid of our "ordinary" glass with free surfaces exhibits a non-heterogeneous behavior, i.e., although liquid-like atoms initiate/grow mainly in the surface shell, significant amount of liquid-like atoms also initiates/grows simultaneously in the interior during heating process. We found three characteristic temperatures of melting of glass with a free surface. Temperature dependence of structure and various thermodynamic quantities of the system upon heating is also presented and discussed.
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https://hal-upec-upem.archives-ouvertes.fr/hal-00733136
Contributor : Quy Dong To <>
Submitted on : Tuesday, September 18, 2012 - 9:39:01 AM
Last modification on : Thursday, March 19, 2020 - 11:52:05 AM

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  • HAL Id : hal-00733136, version 1

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V. H. Vo, Quy-Dong To. Melting of monatomic glass with free surfaces. Journal of Chemical Physics, American Institute of Physics, 2012, 136 (10), pp.104506. ⟨hal-00733136⟩

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