Dynamical diagnostics for the glass transition in soft-sphere alloys

The structural slowing down in a binary alloy of soft spheres near the fluid-glass transition has been investigated by extensive molecular dynamics simulations. An attempt is made to characterise the transition on the basis of r- and k-space representations of the incoherent and coherent parts of th...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 1989-10, Vol.1 (39), p.7171-7186
Main Authors: Roux, J N, Barrat, J L, Hansen, J -P
Format: Article
Language:English
Subjects:
Condensed Matter
Condensed matter: structure, mechanical and thermal properties
Equations of state, phase equilibria, and phase transitions
Exact sciences and technology
General studies of phase transitions
Physics
Statistical Mechanics
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Summary:The structural slowing down in a binary alloy of soft spheres near the fluid-glass transition has been investigated by extensive molecular dynamics simulations. An attempt is made to characterise the transition on the basis of r- and k-space representations of the incoherent and coherent parts of the density autocorrelation functions. A careful analysis of the Van Hove functions allows the authors to put forward two novel diagnostics of the underlying 'ideal' glass transition, which yield the same value of the critical glass transition temperature. The latter appears to be independent of the mass ratio of the two species in the mixture. The damping of the longitudinal sound mode at the longest accessible wavelength appears to be surprisingly independent of temperature, while the damping of the corresponding transverse sound mode decreases significantly as the temperature is lowered.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/1/39/028