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Reliable estimation of heats of formation for energetic metal-organic materials: A structure-descriptor approach for defence applications
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作者 Mohammad Hossein Keshavarz Nasser Hassanzadeh +1 位作者 Zeinab Dalirandeh Mohammad Jafari 《Defence Technology(防务技术)》 2026年第3期41-55,共15页
This study presents a predictive model for condensed-phase heats of formation of metal-containing energetic complexes(MCECs)and energetic metal-organic frameworks(EMOFs),leveraging a dataset of 148 compounds.Using ele... This study presents a predictive model for condensed-phase heats of formation of metal-containing energetic complexes(MCECs)and energetic metal-organic frameworks(EMOFs),leveraging a dataset of 148 compounds.Using elemental composition,triazole rings,and metal presence,the model achieves high accuracy(R^(2)>0.94,mean absolute error(MAE)≈390 kJ/mol)for screening high-energy materials.It outperforms prior methods,particularly for polycyclic systems,offering a practical tool for safer design and risk assessment in defense and industrial applications. 展开更多
关键词 Metal-containing energetic complex Energetic metal-organic frameworks condensed phase heat of formation Predictive modeling Structural descriptor
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A NUMERICAL EXPERIMENT OF SQUALL-LINE FORMATION WITH CONVECTIVE CONDENSATION HEATING
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作者 张维桓 张铭 《Acta meteorologica Sinica》 SCIE 1989年第2期167-175,共9页
A numerical experiment of squall-line formation has been made with a baroclinic quasi-two-dimensional PE-model.The results show that the latent heat released by cumulus convection plays an important role in the format... A numerical experiment of squall-line formation has been made with a baroclinic quasi-two-dimensional PE-model.The results show that the latent heat released by cumulus convection plays an important role in the formation of a certain kind of squall-line.In the process of the formation of squall-line,the nonlinear concentra- tion of perturbation is clearly shown. 展开更多
关键词 LINE A NUMERICAL EXPERIMENT OF SQUALL-LINE formatION WITH CONVECTIVE CONDENSATION HEATING LINE
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