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Oxidation Dynamics of Aluminum Nanorods

Published online by Cambridge University Press:  07 February 2013

Ying Li,
Aiichiro Nakano,
Rajiv K. Kalia and
Priya Vashishta
Ying Li
Affiliation:
Collaboratory for Advanced Computation and Simulations Departments of Chemical Engineering and Materials Science, Physics and Astronomy, and Computer Science University of Southern California, Los Angeles, CA 90089-0242, U.S.A.
Aiichiro Nakano
Affiliation:
Collaboratory for Advanced Computation and Simulations Departments of Chemical Engineering and Materials Science, Physics and Astronomy, and Computer Science University of Southern California, Los Angeles, CA 90089-0242, U.S.A.
Rajiv K. Kalia
Affiliation:
Collaboratory for Advanced Computation and Simulations Departments of Chemical Engineering and Materials Science, Physics and Astronomy, and Computer Science University of Southern California, Los Angeles, CA 90089-0242, U.S.A.
Priya Vashishta
Affiliation:
Collaboratory for Advanced Computation and Simulations Departments of Chemical Engineering and Materials Science, Physics and Astronomy, and Computer Science University of Southern California, Los Angeles, CA 90089-0242, U.S.A.
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Abstract

Understanding of combustion of metastable intermolecular composites, including the burning of aluminum nanoparticles, is critical for broad applications such as propulsion, explosives and other pyrotechnics. Aluminum nanorods (Al-NR) with oxidized shells are good candidates for stable fuel-oxidizer combinations. We investigate the oxidation dynamics of Al-NRs of different diameters (26, 36 and 46 nm) but the same aspect ratio using molecular dynamics simulations. We heat one end of the Al-NR to 1100 K and then study the oxidation reaction at the interface of the alumina shell and the Al core. We find: (1) heat produced by oxidation causes the melting of nanorods; (2) heat release is accelerated due to Al-O reaction at outside-shell and core-shell interfaces; and (3) the larger surface-to-volume ratio causes faster burning of thinner nanorods. We present results for the oxidation speed of nanorods.

Keywords

energetic materialAlnanoscale

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