To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitro...To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals.展开更多
Seasonal precipitation changes over the globe during the 20th century simulated by two versions of the Flexible Global Ocean-Atmosphere-Land System （FGOALS） model are assessed. The two model versions differ in terms...Seasonal precipitation changes over the globe during the 20th century simulated by two versions of the Flexible Global Ocean-Atmosphere-Land System （FGOALS） model are assessed. The two model versions differ in terms of their AGCM component, but the remaining parts of the system are almost identical. Both models reasonably reproduce the mean-state features of the timings of the wet and dry seasons and related precipitation amounts, with pattern correlation coefficients of 0.65-0.84 with observations. Globally averaged seasonal precipitation changes are analyzed. The results show that wet sea- sons get wetter and the annual range （precipitation difference between wet and dry seasons） increases during the 20th century in the two models, with positive trends covering most parts of the globe, which is consistent with observations. However, both models show a moistening dry season, which is opposite to observations. Analysis of the globally averaged moisture budget in the historical climate simulations of the two models shows little change in the horizontal moisture advection in both the wet and dry seasons. The globally averaged seasonal precipitation changes are mainly dominated by the changes in evaporation and vertical moisture advection. Evaporation and vertical moisture advection combine to make wet seasons wetter and enhance the annual range. In the dry season, the opposite change of evaporation and vertical moisture advection leads to an insignificant change in precipitation. Vertical moisture advection is the most important term that determines the changes in precipitation, wherein the thermodynamic component is dominant and the dynamic component tends to offset the effect of the thermodynamic component.展开更多
基金supported by the National Natural Science Foundation of China (22275018)the Project of State Key Laboratory of Explosion Science and Technology (Beijing Institute of Technology)(Grant No.QNKT20-04)。
文摘To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals.
基金jointly supported by the National Natural Science Foundation of China (Grant Nos. 41125017 and 41330423)
文摘Seasonal precipitation changes over the globe during the 20th century simulated by two versions of the Flexible Global Ocean-Atmosphere-Land System （FGOALS） model are assessed. The two model versions differ in terms of their AGCM component, but the remaining parts of the system are almost identical. Both models reasonably reproduce the mean-state features of the timings of the wet and dry seasons and related precipitation amounts, with pattern correlation coefficients of 0.65-0.84 with observations. Globally averaged seasonal precipitation changes are analyzed. The results show that wet sea- sons get wetter and the annual range （precipitation difference between wet and dry seasons） increases during the 20th century in the two models, with positive trends covering most parts of the globe, which is consistent with observations. However, both models show a moistening dry season, which is opposite to observations. Analysis of the globally averaged moisture budget in the historical climate simulations of the two models shows little change in the horizontal moisture advection in both the wet and dry seasons. The globally averaged seasonal precipitation changes are mainly dominated by the changes in evaporation and vertical moisture advection. Evaporation and vertical moisture advection combine to make wet seasons wetter and enhance the annual range. In the dry season, the opposite change of evaporation and vertical moisture advection leads to an insignificant change in precipitation. Vertical moisture advection is the most important term that determines the changes in precipitation, wherein the thermodynamic component is dominant and the dynamic component tends to offset the effect of the thermodynamic component.
