Reactive Bimetallic Nanostructures Based on Triply Periodic Minimal Surfaces: A Molecular Dynamics Study toward the Limits of Performance

RNL Terrett and TJ Frankcombe, ACS APPLIED MATERIALS & INTERFACES, 15, 21364-21374 (2023).

DOI: 10.1021/acsami.2c22241

A variety of intermetallic compounds possesses high enthalpies of formation. These compounds may be formed from reactive compacts or nanostructures comprised of unreacted precursor metals. These precursor structures support self-propagating high temperature synthesis (SHS) reactions which afford very high specific energy densities and rates, with excellent spatial control and a variety of useful applications. The present work compares the reactivity of notional bimetallic nanostructures based on well-known triply periodic minimal surfaces (TPMSes) with the popular reactive nanolaminate (RNL) modality for the Ni/Al system, using a molecular dynamics approach. TPMS-derived nanostructures were found to have lower ignition energies and faster reaction rates than RNLs of comparable periodicity, while the maximum achievable temperature of ignitions was found to be modulated by a complex interplay of factors including reaction rate and specific metal/metal interface density. Nanostructure reactivity and thermochemistry is also affected by effective diffusion dimensionality and recalescent precipitation of intermetallic crystallites. The TPMS- derived reactive nanostructures presented herein anticipate plausible advances in nanofabrication technology.

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