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Investigation of the shock-induced chemical reaction (SICR) in Ni + Al nanoparticle mixtures

Abstract

Molecular dynamics (MD) simulations are used to investigate the shock-compression response of Ni + Al spherical nanoparticles arranged in NaCl-like structure. The deformation and reaction characteristics are studied from the particle level to atomic scale at various piston velocities. Shock-induced chemical reactions (SICRs) occur during the non-equilibrium processes, accompanied by a sharp rise in temperature and rapid mixing of atoms. The preferentially deformed Al particles form a high-speed mass flow relative to the Ni at the shock front, which impinge on the Ni particles and mixing of Ni and Al atoms occurs immediately at the interface. Particle velocity dispersion (PVD) that appears at the shock front has important implications for the initiation of shock-induced chemical reaction. We show that dislocations are mainly generated at the beginning of particle deformation or at the shock front, and do not directly affect the occurrence of SICR. The intimate contact of the molten Al and the amorphous Ni is found to be critical to the subsequent reactions for the extensive mixing of Ni and Al. We conclude that the mechanisms of SICR involve mechanochemcal processes near shock front and subsequent interdiffusion processes.

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Publication details

The article was received on 13 May 2017, accepted on 12 Jun 2017 and first published on 14 Jun 2017


Article type: Paper
DOI: 10.1039/C7CP03176A
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Investigation of the shock-induced chemical reaction (SICR) in Ni + Al nanoparticle mixtures

    Y. Xiong, S. Xiao, H. Deng, W. Zhu and W. Hu, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP03176A

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