Related references
Note: Only part of the references are listed.
Article
Mechanics
J. H. Wang et al.
Summary: The shock wave initiation characteristics of TNT under different charging types were studied using the ion probe method, and the shock wave pressure and attenuation of standard Pentolite explosives under different diaphragm thicknesses were quantitatively analyzed. Gap tests of pressed TNT without restraint, pressed TNT with steel pipe restraint, and cast TNT with steel pipe restraint were conducted. The results showed that the critical initiation pressure of pressed TNT was significantly lower than that of cast TNT, and restraint can reduce the measured critical initiation pressure of TNT under certain conditions.
Article
Chemistry, Physical
Dengyu Jin et al.
Summary: CL-20-based host-guest energetic materials have high application value, and their phase-transition inhibition and stabilization mechanisms were revealed through experiments and molecular dynamics (MD) simulation. The stability sequence and escaping abilities of different guest molecules were investigated, and the thermal stability order of the four CL-20-based host-guest materials was determined. The study also revealed the escape method of guest molecules and the structural stabilization mechanism of host-guest energetic materials. These findings contribute to the understanding of solid-phase-transition inhibition mechanisms and the development of host-guest explosives as smart materials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Thermodynamics
Zhiqiang Wang et al.
Summary: This study analyzed the thermal expansion characteristics and crystal damage behavior of three crystal forms (beta, alpha, and gamma) of DATNBI. The results showed that DATNBI has significant anisotropic thermal expansion, with beta-DATNBI and alpha-DATNBI exhibiting first-order thermal expansion, and gamma-DATNBI displaying second-order thermal expansion. The thermal expansion of DATNBI is reversible, but the crystal damage caused by thermal expansion is irreversible.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Nanoscience & Nanotechnology
Feng Yang et al.
Summary: This study successfully prepared novel lithium-based nitrogen-rich complexes by exploiting the structural properties of 1-hydroxy tetrazolium-5-hydrazine (HAZTO). The prepared complexes exhibited physicochemical parameters that were intermediate between simple ionic compounds and the complexes that formed them, enabling a favorable balance between high energy, high stability, and environmental friendliness.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Wenjin Zhang et al.
Summary: Selective regulation of stability and density via isomerism is a promising strategy for developing energetic materials. In this work, dinitromethyl groups were selectively introduced at different positions of 4-nitro-1,2,3-triazole. This regional heterogeneity leads to a high crystal density and improved stability, resulting in compounds with excellent detonation properties and impact sensitivity comparable to HMX.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Jie Tang et al.
Summary: A series of derivatives of the nitropyrazole-triazole backbone were designed and synthesized through units' screening of 219 N-heterocycle compounds. Among them, DNPAT showed thermal stability close to that of traditional heat-resistant explosive HNS, while its detonation performance and sensitivity were better than those of HNS and traditional high-energy explosive RDX. Compounds 4 and 6 exhibited excellent performances and could potentially be used as secondary explosives. These results enrich prospects for the development of energetic materials.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Applied
Dan C. Sorescu et al.
Summary: This study demonstrates that the combined use of classical and quantum mechanical calculations can address the experimental limitations of RDX and HMX systems and provide accurate predictions of heat capacities. The current computational methodology allows for the evaluation of heat capacities over a wide range of temperatures and pressures, including solid and liquid phases.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2022)
Article
Engineering, Environmental
Yunjie Kang et al.
Summary: A series of energetic materials with high density, thermal stability and detonation performance were synthesized and characterized in this study. The role of intermolecular halogen bonding in creating insensitive energetic materials was investigated. This design method has future importance for next-generation energetic materials.
CHEMICAL ENGINEERING JOURNAL
(2022)
Review
Chemistry, Multidisciplinary
Joydip Mondal et al.
Summary: Molecules with triazine and tetrazine moieties are important in biological applications due to their multifunctional and therapeutic potential. Various synthetic routes can produce diverse derivatives with different electronic properties. These compounds have broad prospects for applications in the field of biomedicine.
TOPICS IN CURRENT CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Shenghui Wang et al.
Summary: Asymmetrically substituted tetrazines and their energetic salts were synthesized, characterized, and evaluated for their energetic properties. The results show that these compounds have good potential in terms of energy content and explosive performance, with high impact insensitivity.
FRONTIERS IN CHEMISTRY
(2022)
Article
Instruments & Instrumentation
A. T. Hewitt et al.
Summary: This paper details a remote-operated apparatus for testing the detonation sensitivity of energetic materials. The apparatus controls the normal force and transverse velocity of the impact plane independently, allowing exploration of different impact conditions. Additionally, a microcontroller is used to automate apparatus operation and ensure alignment of the impacting ram head with the rotating disk, with impact forces measured through fast strain gauges and thermal temperatures captured through infrared imaging of explosive samples.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2021)
Article
Chemistry, Multidisciplinary
Peter R. Spackman et al.
Summary: CrystalExplorer is a native cross-platform program that supports visualization and investigation of molecular crystal structures, with enhanced capabilities for calculating intermolecular interactions and quantum-mechanical properties. The software, including the latest version CrystalExplorer21, is available for free download and academic research use.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2021)
Review
Chemistry, Multidisciplinary
Jie Tang et al.
Summary: The chemistry of HEDMs, characterized by nitrogen-rich heterocyclic skeletons with energetic fragments, has experienced significant growth since the improvements in manufacturing explosives by Alfred Nobel. The recent surge of interest in HEDMs is due to their wide application in military and civilian fields. This review summarizes the recent efforts towards new HEDMs based on synthetic routes, crystal behavior, and structure-property relationships, aiming to achieve more sustainable chemical processes and make a positive impact in various fields.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Physical
Jun Zhang et al.
Summary: An efficient algorithm for evaluating ESP was proposed, which showed comparable or better performance than some state-of-the-art codes for systems like dopamine and remdesivir. The algorithm exhibited good parallelization scaling and was able to evaluate ESP for a system with 4840 GTOs and 259,262 ESP points in 1874 seconds on ordinary hardware.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Dominique R. Wozniak et al.
Summary: 3-Methyl-1,2,3-triazolium-1N-dinitromethylylide, as an exemplary zwitterionic energetic molecule, has impact and friction sensitivities of 8 J and 144-160 N respectively, with a detonation velocity of 8162 m s(-1).
Article
Chemistry, Multidisciplinary
Rui Yang et al.
Summary: The design and synthesis of energetic compounds with azido groups have long been a focus of research in the field of energetic materials. The results suggest that 3-amino-4-(5-methyleneazide-1,2,4-oxadiazol-3-yl)furazan has potential value and could potentially replace traditional explosives.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
Lianjie Zhai et al.
JOURNAL OF MOLECULAR STRUCTURE
(2020)
Article
Chemistry, Multidisciplinary
Jichuan Zhang et al.
Article
Chemistry, Multidisciplinary
Qian Wang et al.
CHEMICAL COMMUNICATIONS
(2019)
Article
Chemistry, Organic
Junqing Yang et al.
JOURNAL OF ORGANIC CHEMISTRY
(2018)
Article
Chemistry, Multidisciplinary
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2012)
Article
Chemistry, Multidisciplinary
Erin R. Johnson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2010)
Article
Chemistry, Multidisciplinary
Mark A. Spackman et al.