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Using the classical molecular dynamics method we have simulated the mechanochemical behavior of oxide coated aluminum nanoparticles. Aluminum nanoparticles with core diameters ranging from 5nm to 8nm are simulated here with 1nm and 2nm thick oxide coatings or shells. In addition to thickness, the oxide shells are parameterized by varying degrees of crystallinity, density, and atomic ratios in order to analyze these effects on the initiation of the aluminum nanoparticle oxidation mechanism. Computed results include diffusion coefficients, electric field strength, and radial stresses. From these computed results we have found that the initiation of the oxidation process for nanometer sized oxide coated aluminum particles is the result of an enhanced transport due to a built-in electric field induced by the oxide shell, in contrast to many of the mechanisms reported in the literature. This induced electric field …