Oxidation dynamics of three different sizes (26, 36 and 46 nm) of single aluminum nanoparticle (ANP) in oxygen environment are studied using multimillion-atom reactive molecular dynamics simulations. In the simulation, each aluminum nanoparticle is coated with an amorphous alumina shell of the same thickness (3 nm), and is ignited by heating the nanoparticle to 1100 K. The metallic aluminum and ceramic alumina are modeled by the Voter- Chen embedded atom model and the interatomic potential by Vashishta et al., respectively. Energy release rate and atomistic-level details of combustion of these single aluminum nanoparticles are investigated, along with the effect of nanoparticle size. The onset temperature of shell Al ejection is found to be independent of the ANP size, whereas the onset time of ejection and the time delay to the highest temperature change rate dT/dt depend on the size.

Understanding the dynamic responses of energetic materials is central to evaluating the energetic and chemical performance as well as development of novel energetic solids. These include thermal, mechanical and chemical processes in a relevant temporal (ns-to-μs) and spatial (atomistic-to-micro) scales. In this paper, we describe our recent developments of time-resolved characterization techniques capable of probing real-time structural and chemical evolutions across single event, metal combustions and intermetallic reactions. The methods utilize highspeed microphotography, spectro-pyrometry, and synchrotron x-ray powder diffraction and determine in-situ the particle sizes, temperatures and structures in μs time resolution. These timeresolved data provide insights into the fragmentation dynamics, thermal history, phase transitions, reaction mechanisms, and chemical kinetics governing these exothermic metal combustions and intermetallic reactions.

RED is a technique we have developed for stand-off detection of trace explosives using infrared (IR) photo-thermal imaging [1,2,3]. RED incorporates compact IR quantum cascade lasers tuned to strong characteristic absorption bands and may be used to illuminate explosives present as particles on a surface. An IR focal plane array is used to image the surface and detect any small increase in the thermal emission upon laser illumination. We have previously demonstrated the technique at several meters to 10’s of meters of stand-off distance indoors and in field tests [4,5], while operating the lasers below the eye-safe intensity limit (100 mWcm2) [6]. Sensitivity to traces of explosives as small as a nanogram has been demonstrated. By varying the incident wavelength slightly, we can readily show selectivity between individual explosives such as TNT and RDX. Using a sequence of lasers at different wavelengths, we increase both sensitivity and selectivity. A complete detection protocol can be performed in a sub-second time domain. More recently, RED has been used to emphasize measurements with cooled detectors in addition to examining the utility of filtering the collected thermal emission signal which is rich in analyte-specific spectroscopic information. A next generation RED system and detection algorithm is being developed to take advantage of these more powerful features. This manuscript will include an overview of the approach and recent experimental results.