The detection technology of concealed bulk explosives is related to social security and national defense construction and has important research significance. In this paper, an element analysis method of concealed exp...The detection technology of concealed bulk explosives is related to social security and national defense construction and has important research significance. In this paper, an element analysis method of concealed explosives based on thermal neutron analysis is proposed.This method could provide better reconstruction precision for hydrogen, carbon, and nitrogen ratios, making it possible to discriminate explosives from other compounds with the same elements but different proportions, as well as to identify the types of concealed bulk explosives. In this paper, the basic principles and mathematical model of this method are first introduced, and the calculation formula of the element number ratio(the ratio between the nucleus numbers of two different elements) of the concealed explosive is deduced. Second, a numerical simulation platform of this method was established based on the Monte Carlo JMCT code. By calibrating the absorption efficiencies of the explosive device to c rays, the element number ratios of a concealed explosive model under the irradiation of thermal neutrons were reconstructed from the neutron capture prompt c-ray spectrum. The reconstruction values were in good agreement with the actual values,which shows that this method has a high reconstruction precision of the element number ratio for concealed explosives. Lastly, it was demonstrated using the simulation study that this method can discriminate explosives,drugs, and common materials, with the capability of determining the existence of concealed bulk explosives and identifying explosive types.展开更多
Cocrystallization is a promising technique for the design and preparation of new explosives,and the stability of cocrystal is highly concerned by the researchers.In order to make a better understanding of the behavior...Cocrystallization is a promising technique for the design and preparation of new explosives,and the stability of cocrystal is highly concerned by the researchers.In order to make a better understanding of the behavior of cocrystal under the extreme conditions,DFT(density functional theory) calculation is performed to investigate the effect of hydrostatic pressure on geometrical and electronic structures of the cocrystal BTF(benzotrifuroxan)/TNA(2,4,6-trinitroaniline).When the hydrostatic pressure is applied,the lattice constants,volume,density and total energy change gradually except at the pressures of 40 GPa and 79e83 GPa.It is noteworthy that new chemical bonds form when the pressure is up to83 GPa.The band gap of the cocrystal becomes smaller when the pressure is applied,and finally the cocrystal shows a characteristic of metal.The mechanical property of cocrystal is calculated by MD(molecular dynamics) simulation.The results show that the cocrystal has a better ductibility at low temperature,and has the best tenacity at 295 K.展开更多
文摘The detection technology of concealed bulk explosives is related to social security and national defense construction and has important research significance. In this paper, an element analysis method of concealed explosives based on thermal neutron analysis is proposed.This method could provide better reconstruction precision for hydrogen, carbon, and nitrogen ratios, making it possible to discriminate explosives from other compounds with the same elements but different proportions, as well as to identify the types of concealed bulk explosives. In this paper, the basic principles and mathematical model of this method are first introduced, and the calculation formula of the element number ratio(the ratio between the nucleus numbers of two different elements) of the concealed explosive is deduced. Second, a numerical simulation platform of this method was established based on the Monte Carlo JMCT code. By calibrating the absorption efficiencies of the explosive device to c rays, the element number ratios of a concealed explosive model under the irradiation of thermal neutrons were reconstructed from the neutron capture prompt c-ray spectrum. The reconstruction values were in good agreement with the actual values,which shows that this method has a high reconstruction precision of the element number ratio for concealed explosives. Lastly, it was demonstrated using the simulation study that this method can discriminate explosives,drugs, and common materials, with the capability of determining the existence of concealed bulk explosives and identifying explosive types.
基金the support of the National Natural Science Foundation of China (Grant No. 61106078)
文摘Cocrystallization is a promising technique for the design and preparation of new explosives,and the stability of cocrystal is highly concerned by the researchers.In order to make a better understanding of the behavior of cocrystal under the extreme conditions,DFT(density functional theory) calculation is performed to investigate the effect of hydrostatic pressure on geometrical and electronic structures of the cocrystal BTF(benzotrifuroxan)/TNA(2,4,6-trinitroaniline).When the hydrostatic pressure is applied,the lattice constants,volume,density and total energy change gradually except at the pressures of 40 GPa and 79e83 GPa.It is noteworthy that new chemical bonds form when the pressure is up to83 GPa.The band gap of the cocrystal becomes smaller when the pressure is applied,and finally the cocrystal shows a characteristic of metal.The mechanical property of cocrystal is calculated by MD(molecular dynamics) simulation.The results show that the cocrystal has a better ductibility at low temperature,and has the best tenacity at 295 K.
