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Numerical simulation of the thermal response of Al core/Ni shell nanometer-sized particles

F Delogu

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Molecular dynamics simulations have been used to investigate the thermal response to a gradual temperature rise of Al core/Ni shell unsupported particles with a radius of about 4 nm and different shell thickness. The different melting points permit a clean separation of the Al and Ni solid-to-liquid transition processes, the Al core melting at temperatures at which the Ni shell still has a well defined solid character. The latent volume released by Al at melting gives rise to a considerable tensile strain in the Ni shell. The mechanical response of the latter depends on its thickness. A sudden failure and a consequent fragmentation of the core/shell system is observed at small shell thickness values.


PACS

64.70.Nd Structural transitions in nanoscale materials

61.46.Df Structure of nanocrystals and nanoparticles ("colloidal" quantum dots but not gate-isolated embedded quantum dots)

64.70.D- Solid–liquid transitions

62.25.-g Mechanical properties of nanoscale systems

Subjects

Nanoscale science and low-D systems

Condensed matter: structural, mechanical & thermal

Dates

Issue 50 (19 December 2007)

Received 10 August 2007, in final form 21 October 2007

Published 20 November 2007



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