S ublimatio n Enthal py of Nano-Sized Crystals of HMX: A Molecular Dynamic s Simulation Study

Molec ular dynamics simulati ons of nano particles with ۱۰- ۱۰۰ m olecules of HMX are carried out at ۳۰۰ K. We have calculated sublimation enth alpy of H MX crystal polymorphs with differ ent sizes. Fo r the all si zes, the ȕ – HMX is found to be the most stable phase, d ue to havin g the least total interact ion energy. Also, Į – HMX is mo re stable th an į– HM X. An increase in the sub limation enthalpy with the size of t he nanoparticle can be seen.

کلیدواژه ها:

Molecular-dynami cs ، HMX n anoparticle ، Structural stability ، Sublimation enthalpy