Simulation study of the elastic mechanical properties of HMX
Conference
·
OSTI ID:976276
- Thomas D.
Results of calculations of the elastic mechanical response of crystalline HMX polymorphs are summarized. The work is based on atomistic molecular dynamics and Monte Carlo simulations. Principal achievements are: (1) prediction of room temperature and pressure elastic tensors for {beta}-, {alpha}- and {delta}-HMX; (2) calculation of room temperature isotherms for each polymorph; (3) extraction of initial bulk modulus and pressure derivative from the isotherm; and (4) 'discovery' of a pressure induced phase transition in {alpha}-HMX (preliminary result). Details of the work, and implications, will be discussed.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 976276
- Report Number(s):
- LA-UR-02-5015; TRN: US201018%%1098
- Resource Relation:
- Conference: Submitted to: 12th Detonation Symposium, August 11-16, 2002, San Diego, CA
- Country of Publication:
- United States
- Language:
- English
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