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Nanodroplets pp 115-141 | Cite as

Atomistic Mechanisms Underlying the Freezing Behavior of Metal Nanodroplets

Chapter
Part of the Lecture Notes in Nanoscale Science and Technology book series (LNNST, volume 18)

Abstract

The freezing behavior of nanometer-sized particles of metallic systems is still an open issue, with considerable relevance to a wide spectrum of industrial applications. Understanding the fundamental mechanisms underlying the liquid-to-solid phase transition represents one of the necessary achievements to enable a definite progress for both science and engineering. Aimed at providing a general overview of the molecular dynamics methods that can be used to profitably investigate the response of these systems to a decrease of temperature, this chapter focuses on the phase transition behavior of Au and Ag droplets. In the idea of discussing specific cases as closest as possible to real ones, the control of temperature has been performed by using a collisional thermostat. It is shown that unsupported droplets on the order of a few nanometers in radius can exhibit a relatively complicated dynamics as the freezing point is approached.

Keywords

Freezing Point Freezing Behavior Droplet Temperature Classical Nucleation Theory Hoover Thermostat 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgments

A. Ermini, ExtraInformatica s.r.l., is gratefully acknowledged for his helpful assistance. Financial support has been given by the University of Cagliari.

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© Springer Science+Business Media New York 2013

Authors and Affiliations

  1. 1.Dipartimento di Ingegneria Meccanica, Chimica, e dei MaterialiUniversità degli Studi di CagliariCagliariItaly

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