科研之友
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摘要
We report molecular dynamics simulations for a new model of tetrahedral network glass-former, based on short-range spherical potentials. Despite the simplicity of the forcefield employed, our model reproduces some essential physical properties of silica, an archetypal network-forming material. Structural and dynamical properties, including dynamic heterogeneities and the nature of local rearrangements, are investigated in detail and a direct comparison with models of close-packed, fragile glass-formers is performed. The outcome of this comparison is rationalized in terms of the properties of the potential energy surface, focusing on the unstable modes of the stationary points. Our results indicate that the weak degree of dynamic heterogeneity observed in network glass-formers may be attributed to an excess of localized unstable modes, associated with elementary dynamical events such as bond breaking and reformation. In contrast, the more fragile Lennard-Jones mixtures are characterized by a larger fraction of extended unstable modes, which lead to a more cooperative and heterogeneous dynamics.
- 出版日期2009-7-15
