Publications

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Novel multilayered FeSiCrB-Fe x N (x = 2-4) metallic glass composites were fabricated using spark plasma sintering of FeSiCrB amorphous ribbons (Metglas 2605SA3 alloy) and Fe x N (x = 2-4) powder. Crystalline Fe x N can serve as a high magnetic moment, high electrical resistance binder, and lamination material in the consolidation of amorphous and nanocrystalline ribbons, mitigating eddy currents while boosting magnetic performance and stacking factor in both wound and stacked soft magnetic cores. Stacking factors of nearly 100% can be achieved in an amorphous ribbon/iron nitride composite. FeSiCrB-Fe x N multilayered metallic glass composites prepared by spark plasma sintering have the potential to serve as a next-generation soft magnetic material in power electronics and electrical machines.

The degradation of a chemical warfare agent simulant using a catalytically active Zr-based metal-organic framework (MOF) as a function of different solvent systems was investigated. Complementary molecular modelling studies indicate that the differences in the degradation rates are related to the increasing size in the nucleophile, which hinders the rotation of the product molecule during degradation. Methanol was identified as an appropriate solvent for non-Aqueous degradation applications and demonstrated to support the MOF-based destruction of both sarin and soman.

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Niobium and niobium nitride thin films are transitioning from fundamental research toward wafer scale manufacturing with technology drivers that include superconducting circuits and electronics, optical single photon detectors, logic, and memory. Successful microfabrication requires precise control over the properties of sputtered superconducting films, including oxidation. Previous work has demonstrated the mechanism in oxidation of Nb and how film structure could have deleterious effects upon the superconducting properties. This study provides an examination of atmospheric oxidation of NbN films. By examination of the room temperature sheet resistance of NbN bulk oxidation was identified and confirmed by secondary ion mass spectrometry. Meissner magnetic measurements confirmed the bulk oxidation not observed with simple cryogenic resistivity measurements.

Many challenges must be overcome in order to create reliable electrochemical energy storage devices with not only high energy but also high power densities. Gaps exist in both battery and supercapacitor technologies, with neither one satisfying the need for both large power and energy densities in a single device. To begin addressing these challenges (and others), we report a process to create a self-assembled array of electrochemically active nanoparticles bound directly to a current collector using extremely short (2 nm or less) conductive tethers. The tethered array of nanoparticles, MnO in this case, bound directly to a gold current collector via short conducting linkages eliminates the need for fillers, resulting in a material which achieves 99.9% active material by mass (excluding the current collector). This strategy is expected to be both scalable as well as effective for alternative tethers and metal oxide nanoparticles.

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The infrared (IR) spectra of micro-hydrated Sarin•(H2O)n clusters containing between one and four explicit waters have been studied using ab initio density functional theory (DFT) methods. The phosphate group P=O bond vibration region (∼1270 to 1290 cm⁻¹) revealed the largest frequency variation with hydration, with a frequency red shift reflecting the direct hydrogen bond formation between the P=O of Sarin and water. Small variations to the P-F stretch (∼810 to 815 cm⁻¹) and the C-O-P vibrational modes (∼995 to 1004 cm⁻¹) showed that the water interactions with these functional groups were minor, and that the structures of Sarin were not extensively perturbed in the hydrated complexes. Increasing the number of explicit hydration waters produced only small vibrational changes in the lowest free energy complexes. These minor changes were consistent with a single water-phosphate hydrogen bond being the dominant structure, though a second water-phosphate hydrogen bond was observed in some complexes and was identified by an additional red shift of the P=O bond vibration. The H2O•H2O vibrational modes (∼3450 to 3660 cm⁻¹) increased in complexity with higher hydration levels and reflect the extended hydrogen bonding networks formed between the explicit waters in the hydrated Sarin clusters. [Figure not available: see fulltext.]