Theoretical study of friction sensitivity of energetic materials

Abstract

The friction sensitivity of energetic materials is affected by many factors, so the prediction of friction sensitivity is always a very complicated problem. In this paper, the electronic and mechanical properties of energetic materials are calculated based on first-principles calculation. Through analysis, the parameter which has strong relationship with friction sensitivity of energetic materials are established, a satisfactory fitting correlation was achieved. This parameter shows that the experimental value of friction sensitivity of energetic materials has a positive correlation with band gap, Young's modulus and effective mass, and is inversely proportional to excess energy. That is, the wider the band gap, the greater the Young's modulus, the higher the effective mass of the carrier, and the smaller the excess energy, the lower the friction sensitivity of the energetic material in the system.