Assembly of Nitrofurazan and Nitrofuroxan Frameworks for High-Performance Energetic Materials.
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DOI: 10.1002/cplu.201700340
Abstract: The design of novel energetic materials with improved performance, optimized parameters, and environmental compatibility remains a challenging task. In this study, new high-energy materials based on isomeric dinitrobi-1,2,5-oxadiazole structures comprising nitrofurazan and nitrofuroxan subunits were… read more here.
Keywords: energetic materials; assembly nitrofurazan; nitrofurazan nitrofuroxan; nitrofuroxan frameworks ... See more keywords
Trigger bond analysis of nitroaromatic energetic materials using wiberg bond indices
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DOI: 10.1002/jcc.25186
Abstract: The identification of trigger bonds, bonds that break to initiate explosive decomposition, using computational methods could help direct the development of novel, “green” and efficient high energy density materials (HEDMs). Comparing bond densities in energetic… read more here.
Keywords: energetic materials; trigger bonds; using wiberg; bond ... See more keywords
Fluorine-Containing Functional Group-Based Energetic Materials.
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DOI: 10.1002/tcr.202300108
Abstract: Molecules featuring fluorine-containing functional groups exhibit outstanding properties with high density, low sensitivity, excellent thermal stability, and good energetic performance due to the strong electron-withdrawing ability and high density of fluorine. Hence, they play a… read more here.
Keywords: fluorine containing; containing functional; energetic materials; functional group ... See more keywords
Theoretical studies on oxadiazole-based layer stacking nitrogen-rich high-performance insensitive energetic materials
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DOI: 10.1007/s00894-020-04555-6
Abstract: A series of energetic compounds derived from substituted oxadiazole molecules which were theoretically proved to have π–π stacking crystal structure using NIC method and QTAIM theory were designed and investigated theoretically as novel high-performance insensitive… read more here.
Keywords: energetic materials; insensitive energetic; performance insensitive; stacking crystal ... See more keywords
Synthesis and characterization of multicyclic oxadiazoles and 1-hydroxytetrazoles as energetic materials
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DOI: 10.1007/s10593-017-2122-9
Abstract: Synthesis and characterization of several multicyclic oxadiazoles, 3,5-bis(4-nitrofurazan-3-yl)-1,2,4-oxadiazole, 3,3'-bis(4-nitrofurazan-3-yl)-5,5'-bi(1,2,4-oxadiazole), 3-(4-nitrofurazan-3-yl)-1,2,4-oxadiazol-5-amine, and salts of 1-hydroxytetrazoles, ammonium 5,5'-(1,2,4-oxadiazole-3,5-diyl)bis(1H-tetrazol-1-olate) and hydroxylammonium 5,5'-{[3,3'-bi(1,2,4-oxadiazole)]-5,5'-diyl}bis(1H-tetrazol-1-olate), as energetic materials are reported. Two of the compounds, 3,5-bis(4-nitrofurazan-3-yl)-1,2,4-oxadiazole and 3,3'-bis(4-nitrofurazan-3-yl)-5,5'-bi(1,2,4-oxadiazole), have attractive single crystal… read more here.
Keywords: energetic materials; bis nitrofurazan; chemistry; multicyclic oxadiazoles ... See more keywords
Design and exploration of 5-nitro-3-trinitromethyl-1H-1,2,4-triazole and its derivatives as energetic materials
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DOI: 10.1007/s11030-020-10103-4
Abstract: According to the fact that 5-nitro-3-trinitromethyl-1H-1,2,4 triazole (NTNMT) is a successful, good explosive, energetic groups such as –CH3, –NH2, –NHNO2, –NO2, –ONO2, –NF2, –CN, –NC, –N3 groups were introduced into NTNMT and their oxygen balance… read more here.
Keywords: energetic materials; nitro trinitromethyl; density; detonation ... See more keywords
A thermal compensated model for predicting the internal combustion of energetic materials in a combustion chamber
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DOI: 10.1016/j.applthermaleng.2019.114237
Abstract: Abstract Influences of heat losses on the performances of thermal systems driven by internal combustions are unavoidable. Methods to compensate the heat losses are very important for improving the fidelity of numerical predictions. In this… read more here.
Keywords: heat losses; heat; energetic materials; model ... See more keywords
Stabilized super-thermite colloids: A new generation of advanced highly energetic materials
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DOI: 10.1016/j.apsusc.2017.05.051
Abstract: Abstract One of the great impetus of nanotechnology on energetic materials is the achievement of nanothermites (metal-oxide/metal) which are characterized by massive heat output. Yet, full exploitation of super-thermites in highly energetic systems has not… read more here.
Keywords: energetic materials; fe2o3 cuo; energetic systems; highly energetic ... See more keywords
Atomic perspectives revealing the evolution behavior of aluminum nanoparticles in energetic materials
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DOI: 10.1016/j.apsusc.2021.150296
Abstract: Abstract Aluminum nanoparticles (ANP) are important components of modern energetic systems because of their excellent combustion performance. However, the underlying mechanism of ANP in energetic materials during ignition is unclear. Based on the ReaxFF-lg method,… read more here.
Keywords: oxidation; aluminum nanoparticles; energetic materials; diffusion ... See more keywords
Toward the defect engineering of energetic materials: A review of the effect of crystal defects on the sensitivity
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DOI: 10.1016/j.cej.2021.132310
Abstract: Abstract Defects always exist in the applied energetic materials (EMs) and have a vital influence on ignition mechanism and further sensitivity. The defect engineering of EMs aims to obtain the understandings of defect effects on… read more here.
Keywords: energetic materials; engineering; effect crystal; sensitivity ... See more keywords
From van der Waals interactions to structures and properties of 3,3′-dinitro-5,5′-bis-1,2,4-triazole-1,1′-diolate based energetic materials
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DOI: 10.1016/j.matchemphys.2019.122175
Abstract: Abstract As a continuation for the search of precise correlation between performance and sensitivity of high energy density materials (Phys. Chem. Chem. Phys. 2018, 20, 29693), we present structure analysis and quantum mechanical calculations for… read more here.
Keywords: energetic materials; van der; dinitro bis; triazole diolate ... See more keywords