A hybrid Monte Carlo method for equilibrium equation of state of detonation products.
- Milton Sam
MONTE CARLO SIMULATION METHODS Benchmark for perturbation theory methods NPT, NVT - single species or fixed composition mixture Gibbs ensemble - phase separation N,PT - chemical equilibrium: fluid only Hybrid Monte Car1.0 Method - extension of N,PT solid carbon +. chemical equilibrium + phase separation 'Real' explosives - calculate final EOS directly any potential is easy equilibrium surface chemistry of carbon clusters benchmark on whole, not just part higher level quantum energy - sample from lower level distribution
- Research Organization:
- Los Alamos National Laboratory
- Sponsoring Organization:
- DOE
- OSTI ID:
- 975590
- Report Number(s):
- LA-UR-01-3488
- Country of Publication:
- United States
- Language:
- English
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