Abstract
To investigate the properties of β-HMX, molecular simulation was implemented to calculate the isotherms of β-HMX at different temperatures using COMPASS force field. The simulation results were fitted to Birch-Murnaghan equation of state and Hugoniot relations. The results indicate that the effect of temperature on the isothermal equations of state consists in the following ways: β-HMX gets more compressible at higher temperatures, the thermal expansion of β-HMX weakens at high pressure and pressure-induced changes of the lattice parameters of β-HMX possess the property of anisotropic compression without change with the temperature.
| Original language | English |
|---|---|
| Pages (from-to) | 854-857 |
| Number of pages | 4 |
| Journal | Beijing Ligong Daxue Xuebao/Transaction of Beijing Institute of Technology |
| Volume | 30 |
| Issue number | 7 |
| Publication status | Published - Jul 2010 |
Keywords
- Anisotropic compression
- Equation of state
- Molecular dynamics
- β-HMX