Quantum Simulations of Low Temperature High Energy Density Matter
Abstract
Solid hydrogen doped with energetic impurities may form the basis for HEDM to be used in rocket propulsion. A key research priority has been to investigate the equilibrium properties of a boron impurity and of an aluminum impurity trapped in solid parahydrogen. The simulation methods used in the study allow us to take into account the quantum nature of the HEDM in question. Using classical molecular dynamics simulations to evaluate these equilibrium properties would predict qualitatively incorrect results for low temperature solid hydrogen, because of the highly quantum nature of the hydrogen matrix. The immediate goal of our group's Air Force-supported low temperature HEDM research program is to understand from large- scale computer simulation the differences in the equilibrium properties of the HEDM when the doped impurity is aluminum, and to asses the effects of anisotropic interactions between the impurity and the pH2 molecule. In low temperature hydrogen HEDM, quantum effects are enormous, so a highly specialized method is required for these demanding computer simulations.
Document Details
- Document Type
- Technical Report
- Publication Date
- May 03, 2004
- Accession Number
- ADA423914
Entities
People
- Gregory A. Voth
Organizations
- University of Utah