Traditional Global Sensitivity Analysis（GSA） focuses on ranking inputs according to their contributions to the output uncertainty.However,information about how the specific regions inside an input affect the output ...Traditional Global Sensitivity Analysis（GSA） focuses on ranking inputs according to their contributions to the output uncertainty.However,information about how the specific regions inside an input affect the output is beyond the traditional GSA techniques.To fully address this issue,in this work,two regional moment-independent importance measures,Regional Importance Measure based on Probability Density Function（RIMPDF） and Regional Importance Measure based on Cumulative Distribution Function（RIMCDF）,are introduced to find out the contributions of specific regions of an input to the whole output distribution.The two regional importance measures prove to be reasonable supplements of the traditional GSA techniques.The ideas of RIMPDF and RIMCDF are applied in two engineering examples to demonstrate that the regional moment-independent importance analysis can add more information concerning the contributions of model inputs.展开更多
The nitrate ester substitution derivatives of prismane were studied at the B3LYP/6-311G＊＊ level. The sublimation enthalpies and heats of formation in gas phase and solid state were calculated. The detonation perform...The nitrate ester substitution derivatives of prismane were studied at the B3LYP/6-311G＊＊ level. The sublimation enthalpies and heats of formation in gas phase and solid state were calculated. The detonation performances were also predicted by using the famous Kamlet-Jacbos equation. Our calculated results show that introducing nitrate ester group into prismane is helpful to enhance its detonation properties. Stabilities were evaluated through the bond dissociation energies, bond order, characteristic heights（H50） and band gap calculations. The trigger bonds in the pyrolysis process of prismane derivatives were confirmed as O–ON2 bond. The BDEs of all compounds were large, so these prismane derivatives have excellent stability consistent with the results of H50 and band gap.展开更多
In this paper we introduce the notions of(Banach) density-equicontinuity and densitysensitivity. On the equicontinuity side, it is shown that a topological dynamical system is densityequicontinuous if and only if it i...In this paper we introduce the notions of(Banach) density-equicontinuity and densitysensitivity. On the equicontinuity side, it is shown that a topological dynamical system is densityequicontinuous if and only if it is Banach density-equicontinuous. On the sensitivity side, we introduce the notion of density-sensitive tuple to characterize the multi-variant version of density-sensitivity. We further look into the relation of sequence entropy tuple and density-sensitive tuple both in measuretheoretical and topological setting, and it turns out that every sequence entropy tuple for some ergodic measure on an invertible dynamical system is density-sensitive for this measure;and every topological sequence entropy tuple in a dynamical system having an ergodic measure with full support is densitysensitive for this measure.展开更多
The thermal behavior,non-isothermal thermal decomposition reaction kinetics and specific heat capacity of hexanitro-hexaazaisowurtzitane(HNIW)were studied by differential scanning calorimeter(DSC)and Micro-DSCIapparat...The thermal behavior,non-isothermal thermal decomposition reaction kinetics and specific heat capacity of hexanitro-hexaazaisowurtzitane(HNIW)were studied by differential scanning calorimeter(DSC)and Micro-DSCIapparatus,The kinetic parameters of the thermal decomposition reaction(the apparent activation energy(E,)and pre-exponential factor(A))were calcu-lated by non-isothermal DSC curves.The results show that the differential mlechanism function and values of E,and A of the ther-mal decomposition reaction of HNIW are 3(1-a)[-ln(1-a)]"·,155.04 kJ·mol^(-1)and 10""s^(-1),respectively.The critical tem-perature of thermal explosion of the title compound is 226.60℃.The entropy of activation(AS·),enthalpy of activation(AH·)and free energy of activation(AG·)of this reaction are 11.60J·mol·K^(-1),152.04 kJ·mol^(-1)and 146.29 kJ·mol^(-1),respec-tively.The equation of specific heat capacity of HNIW with temperature is C,=0.2472+0.002705992Tin the temperature range of 283 K to 343K.The values of self-accelerating decomposition temperature,adiabatic time-to-maximum decomposition rate and adiabatic time-to-explosion are 486.5K,54.81s and 54.31s,respectively.Thermal sensitivity probability density distribution curve of HNIW is constructed.展开更多
基金supported by the National Natural Science Foundation of China(No.NSFC51608446)the Fundamental Research Fund for Central Universities of China(No.3102016ZY015)
文摘Traditional Global Sensitivity Analysis（GSA） focuses on ranking inputs according to their contributions to the output uncertainty.However,information about how the specific regions inside an input affect the output is beyond the traditional GSA techniques.To fully address this issue,in this work,two regional moment-independent importance measures,Regional Importance Measure based on Probability Density Function（RIMPDF） and Regional Importance Measure based on Cumulative Distribution Function（RIMCDF）,are introduced to find out the contributions of specific regions of an input to the whole output distribution.The two regional importance measures prove to be reasonable supplements of the traditional GSA techniques.The ideas of RIMPDF and RIMCDF are applied in two engineering examples to demonstrate that the regional moment-independent importance analysis can add more information concerning the contributions of model inputs.
基金supported by the Natural Science Foundation of Guizhou Province(QKJ[2014]2140 and QJTD[2012]052)
文摘The nitrate ester substitution derivatives of prismane were studied at the B3LYP/6-311G＊＊ level. The sublimation enthalpies and heats of formation in gas phase and solid state were calculated. The detonation performances were also predicted by using the famous Kamlet-Jacbos equation. Our calculated results show that introducing nitrate ester group into prismane is helpful to enhance its detonation properties. Stabilities were evaluated through the bond dissociation energies, bond order, characteristic heights（H50） and band gap calculations. The trigger bonds in the pyrolysis process of prismane derivatives were confirmed as O–ON2 bond. The BDEs of all compounds were large, so these prismane derivatives have excellent stability consistent with the results of H50 and band gap.
基金Jie Li is supported by NSF of Jiangsu Province(Grant No.BK20170225)NNSF of China(Grant Nos.11701231and 12031019)+1 种基金Science Foundation of Jiangsu Normal University(Grant No.17XLR011)Si Ming Tu is supported by NNSF of China(Grant Nos.11801584 and 11871228)。
文摘In this paper we introduce the notions of(Banach) density-equicontinuity and densitysensitivity. On the equicontinuity side, it is shown that a topological dynamical system is densityequicontinuous if and only if it is Banach density-equicontinuous. On the sensitivity side, we introduce the notion of density-sensitive tuple to characterize the multi-variant version of density-sensitivity. We further look into the relation of sequence entropy tuple and density-sensitive tuple both in measuretheoretical and topological setting, and it turns out that every sequence entropy tuple for some ergodic measure on an invertible dynamical system is density-sensitive for this measure;and every topological sequence entropy tuple in a dynamical system having an ergodic measure with full support is densitysensitive for this measure.
基金The National Nature Science Foundation of China(21173163)
文摘The thermal behavior,non-isothermal thermal decomposition reaction kinetics and specific heat capacity of hexanitro-hexaazaisowurtzitane(HNIW)were studied by differential scanning calorimeter(DSC)and Micro-DSCIapparatus,The kinetic parameters of the thermal decomposition reaction(the apparent activation energy(E,)and pre-exponential factor(A))were calcu-lated by non-isothermal DSC curves.The results show that the differential mlechanism function and values of E,and A of the ther-mal decomposition reaction of HNIW are 3(1-a)[-ln(1-a)]"·,155.04 kJ·mol^(-1)and 10""s^(-1),respectively.The critical tem-perature of thermal explosion of the title compound is 226.60℃.The entropy of activation(AS·),enthalpy of activation(AH·)and free energy of activation(AG·)of this reaction are 11.60J·mol·K^(-1),152.04 kJ·mol^(-1)and 146.29 kJ·mol^(-1),respec-tively.The equation of specific heat capacity of HNIW with temperature is C,=0.2472+0.002705992Tin the temperature range of 283 K to 343K.The values of self-accelerating decomposition temperature,adiabatic time-to-maximum decomposition rate and adiabatic time-to-explosion are 486.5K,54.81s and 54.31s,respectively.Thermal sensitivity probability density distribution curve of HNIW is constructed.
