Li(Ni{sub 0.4}Co{sub 0.2-y}Al{sub y}Mn{sub 0.4})O{sub 2} with y=0.05 was investigated to understand the effect of replacement of the cobalt by aluminum on the structural and electrochemical properties. The effect of the substitution was studied by in-situ X-ray absorption spectroscopy (XAS), utilizing a novel in situ electrochemical cell, specifically designed for long-term X-ray experiments. The cell was cycled at a moderate rate through a typical Li-ion battery operating voltage range (1.0-4.7 V). XAS measurements were performed at different states-of-charge (SOC) during cycling, at the Ni, Co, and the Mn edges, revealing details about the response of the cathode to Li insertion and extraction processes. The extended X-ray absorption fine structure region of the spectra revealed the changes of bond distance and coordination number of Ni, Co, and Mn absorbers as a function of the SOC of the material. The oxidation states of the transition metals in the system are Ni{sup 2+}, Co{sup 3+}, and Mn{sup 4+} in the as-made material (fully discharged), while during charging the Ni{sup 2+} is oxidized to Ni{sup 4+} through an intermediate stage of Ni{sup 3+}, Co{sup 3+} is oxidized towards Co{sup 4+} and Mn was found to be electrochemically inactive and remains as Mn{sup 4+}. The …

Pyrophoric reagents represent an important class of reactants because they can participate in many different types of reactions. They are very useful in organic synthesis and in industrial applications. The Occupational Safety and Health Administration (OSHA) and the National Fire Protection Association (NFPA) define Pyrophorics as substances that will self-ignite in air at temperatures of 130 F (54.4 C) or less. However, the U.S. Department of Transportation (DOT) uses criteria different from the auto-ignition temperature criterion. The DOT defines a pyrophoric material as a liquid or solid that, even in small quantities and without an external ignition source, can ignite within five minutes after coming in contact with air when tested according to the United Nations Manual of Tests and Criteria. The Environmental Protection Agency has adopted the DOT definition. Regardless of which definition is used, oxidation of the pyrophoric reagents by oxygen or exothermic reactions with moisture in the air (resulting in the generation of a flammable gas such as hydrogen) is so rapid that ignition occurs spontaneously. Due to the inherent nature of pyrophoric substances to ignite spontaneously upon exposure to air, special precautions must be taken to ensure their safe handling and use. Pyrophoric gases (such as …

The proper representation of particulate phenomena is important for the simulation of many non-ideal particle loaded explosives. These explosives present severe numerical difficulties to simulate because numerical approaches for packed particle beds often behave poorly for the dilute regime and the reverse is often true for methods developed for the dilute regime. This paper presents a multiphase framework for the simulation of these non-ideal explosives that accurately accounts for the particulate behavior in both of these regimes. The capability of this framework is enhanced by the use of prescribed PDF methods for both particle size distributions and the representation of chemical processes. We have validated this framework using several experimental methods that accommodate the separation of momentum flux measurements in two-phase blast flows.

Extending spatial resolution in laser-based chemical analysis to the nanoscale becomes increasingly important as nanoscience and nanotechnology develop. Implementation of femtosecond laser pulses arises as a basic strategy for increasing resolution since it is associated with spatially localized material damage. In this work we study femtosecond laser far- and near-field processing of silicon (Si) at two distinct wavelengths (400 and 800 nm), for nanoscale chemical analysis. By tightly focusing femtosecond laser beams in the far-field we were able to produce sub-micrometer craters. In order to further reduce the crater size, similar experiments were performed in the near-field through sub-wavelength apertures, resulting to the formation of sub-30 nm craters. Laser Induced Breakdown Spectroscopy (LIBS) was used for chemical analysis with a goal to identify the minimum crater size from which spectral emission could be measured. Emission from sub-micrometer craters (full-with-at-half-maximum) was possible, which are among the smallest ever reported for femtosecond LIBS.