Simulating phase formation during exothermic reactions in Al/Ni and Al/Zr multilayered foils

ORAL

Abstract

Reactive multilayered foils are composed of thousands of alternating micro- to nano- scale layers of elements which have a large negative enthalpy of mixing. When a small pulse of energy (such as an electric spark or a thermal pulse) is provided, highly exothermic, self-propagating chemical reactions can be triggered. Both theoretical models and experimental data indicate that even a relatively small amount of premixing can have a dramatic effect on the heats and velocities of the propagating reaction front. We have implemented molecular dynamics simulation to study the phase transformation sequence during multilayered reactions and to elucidate how premixing can affect the sequence of phase formation during such reactions.

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Authors

  • Rong-Guang Xu

    Department of Physics and Astronomy, Johns Hopkins University

  • Michael Falk

    Department of Materials and Engineering, Department of Mechanical Engineering and Department of Physics and Astronomy, Johns Hopkins University, Johns Hopkins University, Department of Materials Science and Engineering, Johns Hopkins University

  • Hong-Wei Sheng

    Department of Computational and Data Sciences, George Mason University