A comparison of different Ni+Al reactive materials is conducted to elucidate the effects of microstructure morphology on performance. CTH, a multi-material Eulerian hydrocode, was utilized to study mesoscale deformation during simulated rod-on-anvil experiments. It is found that the cold sprayed Ni+Al, which has a more topologically connected nickel phase, is likely to be more reactive because of enhanced deformation in the Ni phase relative to explosively compacted Ni+Al, where the Ni phase undergoes less deformation. Rod-on-anvil impact tests verify that cold sprayed Ni+Al is indeed more reactive than explosively compacted Ni+Al when subject to impact.

Heterogeneities at the meso-scale strongly influence the shock compression response of composite materials. Laminated geometries with full density and intimate particle contacts provide a unique system to investigate the influence of microstructure on a propagating shock wave. Computational analysis is used to understand the effects of layer orientation and bilayer spacing on the shock compression response of cold-rolled Ni/ Al multilayers. Real, heterogeneous microstructures, obtained from optical micrographs, are incorporated into the Eulerian, finite volume code CTH. The results show a marked difference in the dissipation and dispersion of the shock wave as the underlying microstructure varies.

Adding aluminum to propellants, pyrotechnics, and explosives is a common way to boost their energy density. A number of approaches have been investigated that shorten aluminum ignition delay, increase combustion rate, and decrease the tendency of aluminum droplets to agglomerate. Previous work showed that particles of mechanically alloyed Al-Mg powders burn faster than similarly sized particles of pure aluminum. However, preparation of mechanically alloyed powders with particle sizes matching those of fine aluminum used in energetic formulations was not achieved. This work is focused on preparation of mechanically alloyed, composite Al-Mg powders in which both internal structures and particle size distributions are adjusted. Binary powders with compositions in the range of 50 - 90 at. % Al were prepared and characterized. Milling protocol is optimized to prepare equiaxial, micron-scale particles suitable for laboratory evaluations of their oxidation, ignition, and combustion characteristics. Quantitative particle size analyses are done using low-angle laser light scattering. Electron microscopy and x-ray diffraction are used to examine particle morphology and phase makeup, respectively. Combustion of aerosolized powder clouds is studied using a constant volume explosion setup. For all materials, ignition and combustion characteristics are compared to each other and to those of pure Al. Compositions with improved performance (i.e., shorter ignition delay and faster pressurization rate) compared to pure Al are identified.

The dynamic features of Al2O3 - polytetrafluoroethylene (PTFE) and Al - PTFE reactions in non-isothermal conditions are presented. The Differential Scanning Calorimetry (DSC) and High-Speed Temperature Scanner (HSTS) were used to characterize the Al2O3/Al – PTFE reactions at different heating rates. The study shows that the HSTS instrument can give more information about the reaction mechanism and kinetics than the conventional DSC measurements. In this work we show that high heating rates may reveal exothermic reaction between Al2O3 and PTFE that were previously unidentified. The PTFE can potentially remove the oxide layer from aluminum in the initial period of the reaction and increase the direct contact area between oxygen and aluminum, which increases the reaction velocity and improves the energy release abilities of the system.

The electrical heating of Ni/Al laminate foils allows interrogation of phenomena at heating rates as high as 10^12 K/s. In the 2011 Fall MRS meeting, we reported on emission spectra from rapidly heated Ni/Al laminates resolved temporally over 350 ns, which provided qualitative evidence of rapid and exothermic vapor phase mixing of Ni and Al in these experiments which we term electrical explosions. These results were significant, because thermal diffusion processes normally limit Ni/Al reactions to much slower energy release rates, potentially limiting their applications. Here we present further evidence of exothermic Ni/Al mixing, quantified by experimental velocity measurements of encapsulation material and interpreted by numerical calculations of energy partitioning into different processes. These calculations agreed well with experiments from different Al, Cu, and Ni samples, sputter-deposited and lithographically patterned into bow-tie bridge structures. Velocity measurements of up to 5 km/s for 11.5 μm thick parylene encapsulation layers were accurately predicted using a single, empirical fitting parameter which depended on the electrical circuit used. The calculations also agreed with encapsulation layers accelerated by electrically exploded Ni/Al laminates as long as an additional 1.2 kJ/g of energy was included in the model. This value is precisely the enthalpy of mixing between Ni and Al, and therefore quantifies the transduction of energy into encapsulation layer kinetic energy.

Understanding of combustion of metastable intermolecular composites, including the burning of aluminum nanoparticles, is critical for broad applications such as propulsion, explosives and other pyrotechnics. Aluminum nanorods (Al-NR) with oxidized shells are good candidates for stable fuel-oxidizer combinations. We investigate the oxidation dynamics of Al-NRs of different diameters (26, 36 and 46 nm) but the same aspect ratio using molecular dynamics simulations. We heat one end of the Al-NR to 1100 K and then study the oxidation reaction at the interface of the alumina shell and the Al core. We find: (1) heat produced by oxidation causes the melting of nanorods; (2) heat release is accelerated due to Al-O reaction at outside-shell and core-shell interfaces; and (3) the larger surface-to-volume ratio causes faster burning of thinner nanorods. We present results for the oxidation speed of nanorods.

Small scale explosively driven fragmentation experiments have been performed on Aluminum (Al)-Tungsten (W) granular composite rings processed using cold isostatic compression of Al and W powders with a particle size of 4-30 microns. Fragments collected from the experiments had a maximum size of the order of a few hundred micrometers. This is a dramatic reduction in the fragment size when compared to the 1-10 mm typical for a homogeneous material such as solid aluminum under similar loading conditions. Numerical simulations of the experiment were performed to elucidate the mechanisms of fragmentation that were responsible for this shift in fragmentation size scales. Simulations were performed with a significantly stronger explosive driver to examine how the mechanisms of fragmentation change when the detonation pressure increases.

The objectives of this work are to prepare and characterize iodine-rich thermites and reactive materials for potential application in bio-agent defeat. Iodine-rich compositions were prepared using metal iodate oxidizers in combination with aluminum fuel. Higher iodine contents were achieved using iodine-rich additives, tetraiodoethylene and tin tetraiodide. Reactivity during rapid combustion was evaluated for both nanoscale and micron-scale materials. The nanoscale materials were evaluated directly using a spark-initiated pan dent test. The micron-scale materials were mixed with 50% of nano Al/MoO3 and also evaluated with the pan dent test. The results for the mixed material were shown to fit well to a linear combination of the expected dent for each component, based on a rapid reaction. Results of the pan dent test were used to down-select micron thermites for further testing. Bismuth iodate was synthesized by precipitation from nitric acid solutions. The average particle size was controlled by the addition rate, and sizes included 95 nm (amorphous structure), and 330 nm and 3 micron (both crystalline). Additional sizes were produced by ball milling the 3 micron material, giving 1 micron and 350 nm sizes. Fluoropolymers were included in some compositions to provide additional biocidal products, namely HF, that could be produced from reaction of AlF3 product with water.

Multimillion-atom molecular dynamics simulations are used to investigate burning behavior of a chain of three alumina-coated aluminum nanoparticles (ANPs), where particles one and three are heated above the melting temperature of pure aluminum. The mode and mechanism behind the heat and mass transfer from the hot ANPs (particles one and three) to the middle, cold ANP (particle two) are studied. The hot nanoparticles oxidize first, after which hot Al atoms penetrate into the cold nanoparticle. It is also found that due to the penetration of hot Al atoms, the cold nanoparticle oxidizes at a faster rate than in the initially heated nanoparticles. The calculated speed of penetration is found to be 54 m/s, which is within the range of experimentally measured flame propagation rates. As the atoms penetrate into the central ANP, they maintain their relative positions. The atoms from the shell of the central ANP form the first layer, which is followed by the atoms from the shell of the outer ANP making the second layer and lastly the atoms from the core of the outer ANPs form the third layer. In addition to heating the central ANP by convection, the ejected hot Al atoms from the outer ANPs initiate exothermic oxidation reactions inside the central ANP, leading to further heating within the central ANP. During 1 ns, all three ANPs fuse together, forming a single ellipsoidal aggregate.

The advantage of aluminum powder as a fuel additive in energetic formulation includes its high volumetric combustion enthalpy and relatively low cost. However, the thermodynamically predicted benefits of aluminum combustion are rarely achieved because of extended ignition delays associated with heterogeneous reactions occurring at the alumina surface which surrounds the aluminum particle. In order to fully exploit aluminum’s high reaction energy, this effort focuses on adjusting its combustion dynamics by modifying its surface and structure. The modification is achieved by cryo-milling aluminum with cyclooctane, which is liquid at room temperature, but solid when cooled by liquid nitrogen. The prepared materials consist of micron-sized, equiaxial, mostly Al particles with a small amount of cyclooctane. Aluminum surface in the prepared sample is coated with a cyclooctane-modified layer with properties significantly different from those of regular alumina. Its oxidation kinetics, as observed from thermo-analytical measurements, is different from that of pure aluminum. The powder ignites at substantially reduced temperatures, produces shorter ignition delays, and higher aerosol burn rates compared to a regular spherical Al powder with similar particle sizes.

We investigate the dynamic behavior under uniaxial stress loading conditions of heterogeneous mixtures of Ti/Al/B via impact simulations on simulated microstructures. We simulate a range of Al concentrations at a constant theoretical material density (TMD) to determine their effects on the mechanical response of a realistic microstructure to impact conditions. We also study particle-level effects such as mixing, extreme deformation, and hot spot formation due to void collapse, as a function of microstructure. Our goal is to shed light on the possible meso-scale phenomena that makes a certain mixture more reactive than others of variable Al composition.