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Simulations of the inert gas condensation processes

Krasnochtchekov, P. and Albe, K. and Averback, R. S. (2003):
Simulations of the inert gas condensation processes.
In: Z. Metallkde., Karl Hanser Verlag, pp. 1098-1105, 94, (10), ISSN 0044-3093,
[Article]

Abstract

Inert gas condensation of metallic and covalently bonded nanoparticles has been investigated using molecular-dynamics computer simulations. Using Ge as an example, the different phases of particle growth, nucleation, monomeric growth, and cluster aggregation, have been identified and the kinetics of each described. In addition, the evolutions of the morphologies of the different types of nanoparticles have been studied. It is shown that while covalently bonded nanoparticles tend toward a ramified structure, metallic nanoparticles remain compact, owing to deformation in the crystallized state. Finally, the strong influence of surface segregation on the structure of alloy nanoparticles is illustrated using a model system.

Item Type: Article
Erschienen: 2003
Creators: Krasnochtchekov, P. and Albe, K. and Averback, R. S.
Title: Simulations of the inert gas condensation processes
Language: English
Abstract:

Inert gas condensation of metallic and covalently bonded nanoparticles has been investigated using molecular-dynamics computer simulations. Using Ge as an example, the different phases of particle growth, nucleation, monomeric growth, and cluster aggregation, have been identified and the kinetics of each described. In addition, the evolutions of the morphologies of the different types of nanoparticles have been studied. It is shown that while covalently bonded nanoparticles tend toward a ramified structure, metallic nanoparticles remain compact, owing to deformation in the crystallized state. Finally, the strong influence of surface segregation on the structure of alloy nanoparticles is illustrated using a model system.

Journal or Publication Title: Z. Metallkde.
Volume: 94
Number: 10
Publisher: Karl Hanser Verlag
Uncontrolled Keywords: molecular dynamics; inert gas condensation; nanoparticles
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Date Deposited: 28 Feb 2012 14:47
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