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Advanced Engineering Materials, EarlyView.Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari +5 more
wiley +1 more source
Detonation Performance of Insensitive Nitrogen-Rich Nitroenamine Energetic Materials Predicted from First-Principles Reactive Molecular Dynamics Simulations. [PDF]
JACS AuGuo D +5 more
europepmc +1 more source
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Energy Materials and Energetic Materials
2022Energy materials include substances used for the production, conversion, storage and transmission of energy. Explosives as a part of ‘energetic materials’ are substances of which the internally stored huge chemical energy is liberated with a (self-sustaining) rapid and violent chemical reaction initiated with an outer stimulant; energetic materials ...
Ayşem Üzer +4 more
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Advanced Materials, 1990
Metastable molecues possessing high reactivity can be employed as explosives, propellants, and pyrotechnics. The properties, sensitivities and kinetics of energetic materials used as nitroaromatics and nitramines, which are in both military and civilian use, are discussed and the theory of detonation described.
Sury Iyer, Norman Slagg
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Metastable molecues possessing high reactivity can be employed as explosives, propellants, and pyrotechnics. The properties, sensitivities and kinetics of energetic materials used as nitroaromatics and nitramines, which are in both military and civilian use, are discussed and the theory of detonation described.
Sury Iyer, Norman Slagg
openaire +1 more source
Electro-analysis of energetic materials
Journal of Hazardous Materials, 2007Cyclic voltammetric studies of triaminoguanidine nitrate (TAGN), 3,3'-hydrazino bis(bis[6,6'-(3,5-dimethylpyrazol-lyl])-1,2,4,5-tetrazine (HBPT), 4,6-dinitrobenzofuroxan (DNBF) and 3,3'-diamino-4,4'-azoxyfurazan (DAAF) were carried out at different pH conditions in 50% aqueous acetonitrile using glassy carbon electrode.
R, Sivabalan +6 more
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Amination of energetic anions: high-performing energetic materials
Dalton Transactions, 2012The new energetic materials 2-amino-5-nitrotetrazole (ANT, 1), 1-amino-3,4-dinitro-1,2,4-triazole (ADNT, 2), and both 1,1'-diamino-5,5'-bistetrazole and 1,2'-diamino-5,5'-bistetrazole (11DABT, 3 and 12DABT, 4) have been prepared by the amination of the parent anion with O-tosylhydroxylamine.
Thomas M, Klapötke +2 more
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Energetics of microporous materials
Journal of Non-Crystalline Solids, 1995Abstract The enthalpies of formation of a series of high-silica zeolites are only 8–14 kJ/mol less exothermic than that of quartz, with a very weak dependence on volume (framework density), despite a factor of two variation in those parameters. Several mesoporous silicas, with pore diameters in the range 3–5 nm, also are only 14 kJ/mol less stable ...
Alexandra Navrotsky +4 more
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Energetics. Available materials
Reality of Politics, 2012Little more optimistic predictions state that prices will rise. How fast depends from resource supplies. To slow it down we have to forget about using X% of sun energy in 50 years. Solutions decreasing oil usage in power plants and transport wont eliminate it complicity but will allow to buy time necessary to replace oil in other branches of economy ...
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