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Structural modification of a multiply twinned nanoparticle by ion irradiation: A molecular dynamics study

Jarvi, T. T. and Kuronen, A. and Nordlund, K. and Albe, K. (2007):
Structural modification of a multiply twinned nanoparticle by ion irradiation: A molecular dynamics study.
In: J. Applied Physics, pp. 124304-2, 102, (12), ISSN 0021-8979,
[Online-Edition: http://jap.aip.org/resource/1/japiau/v102/i12/p124304_s1],
[Article]

Abstract

We study the possibility of modifying the structure of a multiply twinned nanoparticle by ion irradiation. Molecular dynamics simulations are carried out for the prototypic case of a metastable icosahedral Pt particle bombarded with He and Xe ions in the energy range of 0.1-10 keV. A single xenon impact can be used to melt the particle. It can also induce partial melting, which causes a collapse of the twin boundary structure in the solid part and transformation to single crystalline morphology. Under He irradiation, we observe a saturation of the vacancy concentration, but no untwinning.

Item Type: Article
Erschienen: 2007
Creators: Jarvi, T. T. and Kuronen, A. and Nordlund, K. and Albe, K.
Title: Structural modification of a multiply twinned nanoparticle by ion irradiation: A molecular dynamics study
Language: English
Abstract:

We study the possibility of modifying the structure of a multiply twinned nanoparticle by ion irradiation. Molecular dynamics simulations are carried out for the prototypic case of a metastable icosahedral Pt particle bombarded with He and Xe ions in the energy range of 0.1-10 keV. A single xenon impact can be used to melt the particle. It can also induce partial melting, which causes a collapse of the twin boundary structure in the solid part and transformation to single crystalline morphology. Under He irradiation, we observe a saturation of the vacancy concentration, but no untwinning.

Journal or Publication Title: J. Applied Physics
Volume: 102
Number: 12
Uncontrolled Keywords: crystal morphology, impurities, ion-surface impact, molecular dynamics method, nanostructured materials, platinum, twin boundaries
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 28 Feb 2012 14:53
Official URL: http://jap.aip.org/resource/1/japiau/v102/i12/p124304_s1
Identification Number: doi:10.1063/1.2825045
Related URLs:
Funders: This work was financed by the Academy of Finland and the University of Helsinki., We also gratefully acknowledge support within an exchange program from the Academy of Finland and the German Foreign Exchange Service �DAAD�, as well as the grants of computer time from CSC, the Finnish IT Centre for Science.
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