Low Cost, High energy Density, and Pressure Tolerant Lithium-ion Battery

Not Available Highly energetic chemical processes, such as exothermic reactions and high velocity collisional excitation, play critical roles in many military and commercial applications. However, it is usually difficult due to time and/or length scales, or impractical due to the high cost of experiments, to properly characterize such chemistry. Computational chemistry methods and computing power have matured rapidly over the past decade to provide fast and reliable methods for computing reaction rates for many systems which would be difficult or impossible to measure. Several innovations are proposed to extend these methods to the high energy and non-equilibrium environments required for plume signature calculations. The overall Phase I goal is to develop the methodology to calculate velocity-dependent reaction cross sections for processes leading to IR/UV radiation from high altitude missile systems. Specific technical objectives are: (1) Apply an electronic structure code to determine molecular energies and structures along a prototype reaction path, (2) Develop and apply chemical dynamics codes to compute reaction rate constants, (3) Validate the technical approach for calculating the reaction rate properties by comparing with available laboratory and field data