Molecular dynamics simulation of Al-SiO2 sandwich nanostructure melting and low-temperature energetic reaction behavior
JP Zhang and YB Si and C Leng and BC Yang, RSC ADVANCES, 6, 59313-59318 (2016).
The heating and low temperature thermite reactions of the Al/SiO2 sandwich nanostructure are investigated by molecular dynamics simulations in combination with the reactive force field, ReaxFF. In this paper, the initial atomistic processes, thermal stability and energetic reaction properties of Al and SiO2 are presented. The results show that the melting temperature of the Al/SiO2 sandwich structure is similar to 1400 K. The thermite reaction self-heating rates are determined by the thickness of the interfacial diffusion barrier at the interface in the nanoparticle.
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