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Theoretical Calculation about the High Energy Density Molecules of Nitrate Ester Substitution Derivatives of Prismane 被引量:2
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作者 李步通 迟伟杰 李璐琳 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第8期1306-1312,共7页
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
关键词 prismane nitrate ester group high energy density compounds impact sensitive density functional theory
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Density-equicontinuity and Density-sensitivity
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作者 Jie LI Si Ming TU 《Acta Mathematica Sinica,English Series》 SCIE CSCD 2021年第2期345-361,共17页
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
关键词 density equicontinuity density sensitivity sequence entropy
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Regional moment-independent sensitivity analysis with its applications in engineering 被引量:8
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作者 Changcong ZHOU Chenghu TANG +2 位作者 Fuchao LIU Wenxuan WANG Zhufeng YUE 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2017年第3期1031-1042,共12页
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
关键词 Cumulative distribution function Moment-independent Probability density function Regional importance measure sensitivity analysis Uncertainty
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