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Elementary excitations and crossover phenomenon in liquids

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arxiv 1304.6784 v1 pith:2NWBDGQC submitted 2013-04-25 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords excitationsliquidselementaryphononsconfigurationalcrossovermetallicphenomenon
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The elementary excitations of vibration in solids are phonons. But in liquids phonons are extremely short-lived and marginalized. In this letter through classical and ab-initio molecular dynamics simulations of the liquid state of various metallic systems we show that different excitations, the local configurational excitations in the atomic connectivity network, are the elementary excitations in high temperature metallic liquids. We also demonstrate that the competition between the configurational excitations and phonons determines the so-called crossover phenomenon in liquids. These discoveries open the way to the explanation of various complex phenomena in liquids, such as fragility and the rapid increase in viscosity toward the glass transition, in terms of these excitations.

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