Resorting to microcanonical ensemble Monte Carlo simulations, we study the geometric 1
and topological properties of the state space of a model of network glass-former. This model, a 2
Lennard-Jones binary mixture, does not crystallize due to frustration. We found, at equilibrium and 3
at low energy, two peaks of specific heat, in correspondence with important changes of local ordering. 4
These singularities are accompanied by inflection points of geometrical markers of the potential 5
energy level sets, namely the mean curvature, the dispersion of the principal curvatures and the 6
variance of the scalar curvature. Pinkall’s and Overholt’s theorems closely relate these quantities to 7
the topological properties of the accessible state-space manifold. Thus, our analysis provides strong 8
indications that the glass transition is associated with major changes of the topology of the energy 9
level sets. This important result suggests that this phase transition can be understood through the 10
topological theory of phase transitions.
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Subject: Physical Sciences - Mathematical Physics
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