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Aminov, Yu. A.; Gorshkov, M. M.; Zaikin, V. T.; Kovalenko, G. V.; Nikitenko, Yu. R.; Rykovanov, G. N.

doi:10.1023/a:1014915302270

Cited by 7 publications

(2 citation statements)

References 6 publications

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“…Among EMs, 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and 1,1-diamino-2,2-dinitroethylene (FOX-7) are always considered to be representatives at the balance point. 5,6 Besides TATB and FOX-7, 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) are a highly promising candidate. Compared with main traditional EMs like 2,4,6-trinitrotoluene, 1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), LLM-105 possesses outstanding thermal stability and insensitivity to friction, spark, impact, and shock.…”

Section: Introductionmentioning

confidence: 99%

“…Energetic materials (EMs), including pyrotechnics, propellants, and explosives, are widely applied for civil, industrial, and military purposes. , With the progress and development of the society, the requirements for EMs increase, such as high energy density, thermal stability, thermal and shock, storability, and low handling hazards. , Because of a delicate balance between high energy and high safety, a great challenge is to search a new balance point for EMs using chemical synthesis and crystal engineering technology. Among EMs, 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and 1,1-diamino-2,2-dinitroethylene (FOX-7) are always considered to be representatives at the balance point. , Besides TATB and FOX-7, 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) are a highly promising candidate. Compared with main traditional EMs like 2,4,6-trinitrotoluene, 1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), LLM-105 possesses outstanding thermal stability and insensitivity to friction, spark, impact, and shock …”

Section: Introductionmentioning

confidence: 99%

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First-Principles-Based Force Field for 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Wang

Zeng

et al. 2019

ACS Omega

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2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105) is a highly promising energetic material (EM) with high safety. Understanding its microscopic response mechanisms within the external stimulus is meaningful for the design of EMs. In order to comprehend the complicated phenomena, it is necessary to employ molecular simulation methods to investigate the response mechanisms with the force field (FF) at an atomic level. In this work, we developed a tailored FF for LLM-105 based on first-principles calculations. The validity of the FF was evaluated by molecular dynamics simulations. The structural parameters of LLM-105 predicted by FF are in good agreement with the experimental values, such as lattice constant, bond length, bond angle, dihedral angle and center of mass, and so forth. Moreover, the FF possesses good performance to describe the structural response on pressure accurately. In general, our work not only builds a balanced FF in gas and condensed phases, but also provides a useful tool to study the properties about LLM-105 at a large scale, which is helpful to improve the understanding about the balance between energy and safety in EMs.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

First-Principles-Based Force Field for 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Wang

Zeng

et al. 2019

ACS Omega

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Kinetics of electrical conductivity of TATB detonation products as an indicator of growth of carbon nanoparticles

Gorshkov

Grebenkin

Zherebtsov

et al. 2007

Combust Explos Shock Waves

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Two stages of growth of electrical conductivity of detonation products of plasticbonded TATB are registered: a fast stage with a characteristic time of 0.1 µsec, which is commensurable with the time of chemical reactions, and a subsequent slow stage, which lasts for 0.5-1.0 µsec until specimen unloading begins. Under the assumption of the thermal mechanism of conductivity emergence, the second stage could be caused by an increase in temperature due to slow energy release in the course of growth of carbon nanoparticles in explosion products.

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