FY06 L2C2 HE program report Zaug et al.
The purpose of this project is to advance the improvement of LLNL thermochemical computational models that form the underlying basis or input for laboratory hydrodynamic simulations. Our general work approach utilizes, by design, tight experimental-theoretical research interactions that allow us to not empirically, but rather more scientifically improve LLNL computational results. The ultimate goal here is to confidently predict through computer models, the performance and safety parameters of currently maintained, modified, and newly designed stockpile systems. To attain our goal we make relevant experimental measurements on candidate detonation products constrained under static high-pressure and temperature conditions. The reduced information from these measurements is then used to construct analytical forms that describe the potential surface (repulsive energy as a function of interatomic separation distance) of single and mixed fluid or detonation product species. These potential surface shapes are also constructed using input from well-trusted shock wave physics and assorted thermodynamic data available in the open literature. Our potential surfaces permit one to determine the equations of state (P,V,T), the equilibrium chemistry, phase, and chemical interactions of detonation products under a very wide range of extreme pressure temperature conditions. Using our foundation of experimentally refined potential surfaces we are in a position more »
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- OSTI Identifier:
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- DOE Contract Number:
- Resource Type:
- Technical Report
- Research Org:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA
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- Country of Publication:
- United States
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHEMICAL EXPLOSIVES; CHEMICAL PROPERTIES; CHEMISTRY; COMBUSTION; COMPUTERS; EQUATIONS OF STATE; EXPLOSIONS; HYDRODYNAMICS; KINETICS; LASERS; MIXTURES; PHYSICS; SAFETY; SHOCK WAVES; SOLUBILITY; STOCKPILES; THERMODYNAMICS; VELOCITY
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