UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

Size-derived reaction mechanism of core-shell aluminum nanoparticle

Chu, Q; Shi, B; Liao, L; Zhou, Y; Luo, KH; Wang, N; (2020) Size-derived reaction mechanism of core-shell aluminum nanoparticle. Applied Physics Letters , 117 (13) , Article 133902. 10.1063/5.0015367.

[img] Text
5.0015367.pdf - Published version
Access restricted to UCL open access staff until 30 September 2021.

Download (2MB)

Abstract

To prompt the application of aluminum nanoparticles (ANPs) in combustion as the fuel additive and in chemical synthesis as the catalyst, this study examines the reaction dynamics of core-shell ANPs under an oxygen atmosphere via Transient Non-Equilibrium Reactive Molecular Dynamics simulations. Two distinct oxidation modes determined by the competition between the oxide shell melting and core reaction have been identified. One is the fast oxidation mode with a high reaction heat release rate, where core Al and ambient O atoms diffuse into each other to form a homogeneous alumina particle. The other is the moderate oxidation with lower heat release, where only core Al atoms diffuse into the oxide shell to form a hollow spherical structure. By modeling the shell melting and Al core reaction, a size-derived oxidation model has been proposed to conveniently but accurately predict the ANP reaction dynamics. This work also provides fundamental insight into the synthesis of ANPs that serve as a high energy density fuel and high-performance catalyst.

Type: Article
Title: Size-derived reaction mechanism of core-shell aluminum nanoparticle
DOI: 10.1063/5.0015367
Publisher version: https://doi.org/10.1063/5.0015367
Language: English
Additional information: This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Mechanical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10112241
Downloads since deposit
1Download
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item