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Ions in liquid metal clusters

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Abstract

From the results of computer simulations, especially of 13-atom metal clusters by molecular dynamics, we derive a theory of the solid–liquid phase transition in metal clusters that connects to the jellium model. We analyze the nature of the ion’s behavior in liquid clusters. As a result, we find a dynamical coexistence among the cluster’s configurational states create the liquid aggregate state of this cluster. It follows from the entropy analysis that motions of the ions in liquid metal clusters explore a selective set of ion configurations, rather than following independent motions in a self-consistent cluster field.

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Authors and Affiliations

  1. Department of Chemistry, University of Chicago, 5735 South Ellis Avenue, Chicago, IL, 60637, USA

    R. Stephen Berry

  2. Institute for High Temperatures, Izhorskaya 13/19, Moscow, 127412, Russia

    Boris M. Smirnov

Authors
  1. R. Stephen Berry
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  2. Boris M. Smirnov
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Correspondence to R. Stephen Berry.

Additional information

Dedicated to Professor Greg Ezra and published as part of the special collection of articles celebrating his 60th birthday.

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Berry, R.S., Smirnov, B.M. Ions in liquid metal clusters. Theor Chem Acc 133, 1543 (2014). https://doi.org/10.1007/s00214-014-1543-0

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  • DOI: https://doi.org/10.1007/s00214-014-1543-0

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