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2010•Modern Physics Letters BRequires access

ATOMISTIC STUDY OF THE MELTING BEHAVIOR OF Ni 3 Al ALLOYS: FROM NANOWIRES TO BULK

Dengmu Cheng, Zhijie Li, Huajun Yu, Chundong Wang, Zhiguo Wang

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Abstract

The melting behavior of Ni 3 Al alloys in one, two and three dimensions were studied by adopting molecular dynamics simulations with many-body interatomic potentials. The results of simulation show that melting temperatures of the Ni 3 Al nanowires and nanofilms rise with the increase of the size of nanostructures to a saturation value, and finally reach a proximate melting temperature of bulk Ni 3 Al . The results also reveal that the nanowires and nanofilms begin to melt at the surface, and then it rapidly extends to the interior of the nanostructures as the temperature increase. The large surface-to-volume ratio of the nanowires and nanofilms may account for the decreased melting temperature observed in the present simulations.

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What this paper is about

The melting behavior of Ni 3 Al alloys in one, two and three dimensions were studied by adopting molecular dynamics simulations with many-body interatomic potentials. The results of simulation show that melting temperatures of the Ni 3 Al nanowires and nanofilms rise with the increase of the size of nanostructures to a saturation value, and finally reach a proximate melting temperature of bulk Ni 3 Al . The results also reveal that the nanowires and nanofilms begin to melt at the surface, and then it rapidly extends to the interior of the nanostructures as the temperature increase. The large surface-to-volume ratio of the nanowires and nanofilms may account for the decreased melting temperature observed in the present simulations.

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Available abstract

The melting behavior of Ni 3 Al alloys in one, two and three dimensions were studied by adopting molecular dynamics simulations with many-body interatomic potentials. The results of simulation show that melting temperatures of the Ni 3 Al nanowires and nanofilms rise with the increase of the size of nanostructures to a saturation value, and finally reach a proximate melting temperature of bulk Ni 3 Al . The results also reveal that the nanowires and nanofilms begin to melt at the surface, and then it rapidly extends to the interior of the nanostructures as the temperature increase. The large surface-to-volume ratio of the nanowires and nanofilms may account for the decreased melting temperature observed in the present simulations.

Key concepts: Nanowire, Materials science, Molecular dynamics, Nanostructure, Melting temperature, Font, Nanotechnology, Thermodynamics

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