3 Matching Results

Search Results

Advanced search parameters have been applied.

Recent Advances in Modeling Hugoniots with Cheetah

Description: We describe improvements to the Cheetah thermochemical-kinetics code's equilibrium solver to enable it to find a wider range of thermodynamic states. Cheetah supports a wide range of elements, condensed detonation products, and gas phase reactions. Therefore, Cheetah can be applied to a wide range of shock problems involving both energetic and non-energetic materials. An improve equation of state is also introduced. New experimental validations of Cheetah's equation of state methodology have been performed, including both reacted and unreacted Hugoniots.
Date: July 26, 2005
Creator: Glaesemann, K R & Fried, L E
Partner: UNT Libraries Government Documents Department

Quantitative Molecular Thermochemistry Based on Path Integrals

Description: The calculation of thermochemical data requires accurate molecular energies and heat capacities. Traditional methods rely upon the standard harmonic normal mode analysis to calculate the vibrational and rotational contributions. We utilize path integral Monte Carlo (PIMC) for going beyond the harmonic analysis, to calculate the vibrational and rotational contributions to ab initio energies. This is an application and extension of a method previously developed in our group.
Date: March 14, 2005
Creator: Glaesemann, K R & Fried, L E
Partner: UNT Libraries Government Documents Department

Equation of state for high explosives detonation products with explicit polar and ionic species

Description: We introduce a new thermodynamic theory for detonation products that includes polar and ionic species. The new formalism extends the domain of validity of the previously developed EXP6 equation of state library and opens the possibility of new applications. We illustrate the scope of the new approach on PETN detonation properties and water ionization models.
Date: June 28, 2006
Creator: Bastea, S; Glaesemann, K R & Fried, L E
Partner: UNT Libraries Government Documents Department