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Nanocluster rotation on {P}t surfaces: twist boundaries

Ashkenazy, Y. and Averback, R. S. and Albe, K. (2001):
Nanocluster rotation on {P}t surfaces: twist boundaries.
In: Phys. Rev. B, American Physical Society, p. 205409, 64, (20), [Online-Edition: http://prb.aps.org/abstract/PRB/v64/i20/e205409],
[Article]

Abstract

Nanoscale Pt particles situated on a Pt surface are studied by molecular dynamics simulations. It is shown that for the simple case of symmetrical twist boundaries with low index planes, the structure and dynamics of the system are sensitive to finite size effects. Namely, below a specific nanoparticle size the particles will align themselves with the substrate, while for larger particles a stable array of grain boundary dislocations is created. It is shown that nanoparticle rotation is a direct result of athermal slip of the grain boundary dislocations that are created at the particle-substrate interface. The size effects are unique to nano-sized particles and thus have not yet been observed in past experiments. The simulations also show that the energy and structure of the boundaries are also affected by the system size.

Item Type: Article
Erschienen: 2001
Creators: Ashkenazy, Y. and Averback, R. S. and Albe, K.
Title: Nanocluster rotation on {P}t surfaces: twist boundaries
Language: English
Abstract:

Nanoscale Pt particles situated on a Pt surface are studied by molecular dynamics simulations. It is shown that for the simple case of symmetrical twist boundaries with low index planes, the structure and dynamics of the system are sensitive to finite size effects. Namely, below a specific nanoparticle size the particles will align themselves with the substrate, while for larger particles a stable array of grain boundary dislocations is created. It is shown that nanoparticle rotation is a direct result of athermal slip of the grain boundary dislocations that are created at the particle-substrate interface. The size effects are unique to nano-sized particles and thus have not yet been observed in past experiments. The simulations also show that the energy and structure of the boundaries are also affected by the system size.

Journal or Publication Title: Phys. Rev. B
Volume: 64
Number: 20
Publisher: American Physical Society
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 15:19
Official URL: http://prb.aps.org/abstract/PRB/v64/i20/e205409
Identification Number: doi:10.1103/PhysRevB.64.205409
Related URLs:
Funders: Support for this work from the U.S. Department of Energy through the University of California under subcontract B341494 and the U.S. Department of Energy–Basic Energy Science under Grant No. DEFG02-96-ER45439, and grants of computer time from National Computational Science Alliance at UIUC and the National Energy Research Supercomputer Center are gratefully acknowledged.
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