Experiment and Molecular Dynamic Simulation on Interactions between 3,4-Bis(3-nitrofurazan-4-yl) Furoxan (DNTF) and Some Low-Melting-Point Explosives.

3,4-bis(3-nitrofurazan-4-yl) furoxan (DNTF) is an explosive with excellent performance, and the use of DNTF as a high-energy component is of great significance for improving the comprehensive performance of weapons. To explore the effect of DNTF on low-melting-point molten carrier explosives, the compatibility between DNTF and other low-melting-point explosives was analyzed by differential scanning calorimetry, and mechanical sensitivity was tested. The compatibility and cohesive energy density between DNTF and other low-melting-point explosives were calculated by Materials Studio. The results showed that DNTF has good compatibility with most low-melting-point explosives, and the peak temperature change of the mixed system formed by melt-casting is not obvious. Among them, DNTF has the best compatibility with MTNP, TNT, and DNAN; moderate compatibility with DFTNAN and DNP; and the worst compatibility with DNMT. The sensitivity test results indicate that the combination of DNTF and TNT has the most significant reduction in mechanical sensitivity. DFTNAN and MTNP have better stability than DNTF and can generate strong interaction forces with DNTF. Other low-melting-point explosives mixed with DNTF have lower intermolecular forces than DNTF. The DNTF/MTNP system requires the most energy to phase change when heated compared to other mixed systems and is the least sensitive to heat. The DNTF/DNMT system has the lowest cohesive energy density and is the most sensitive to heat.

Non-Isothermal Simulation and Safety Analysis of Twin-Screw Extrusion Process for Synthetizing Glycidyl Azide Polymer-Based Energetic Thermoplastic Elastomer.

In order to study the temperature variation and flow characteristics in the twin-screw reactive extrusion process of synthetizing glycidyl azide polymer-based energetic thermoplastic elastomer (GAP-ETPE), a non-isothermal simulation and a safety analysis were carried out. Firstly, based on the synthesis principle of GAP-ETPE, a mechanical sensitivity test, viscosity test and differential scanning calorimetry (DSC) of GAP-ETPE were carried out. Secondly, a three-dimensional physical model of the intermeshing co-rotating conveying element was established by Gambit. A three-dimensional non-isothermal numerical simulation of the conveying and kneading elements was carried out using FLUENT 19.0 software. The temperature, pressure and shear stress field of conveying and kneading elements with different staggered angles were analyzed and compared. The results show that the maximum temperature of the kneading element is always slightly higher than that of the conveying element at the same rotational speed, but the average temperature in the flow channel is always slightly higher than that of the kneading element. The inlet and outlet pressure difference of the kneading elements with a 90° offset angle is the smallest and the safety is the highest. The shear stress in the flow channel of the conveying element is higher than that of the kneading element as a whole, but the shear stress near the outlet of the 90° kneading element is higher than that in the flow channel of the conveying element. Among the kneading elements, the 90° kneading element has the strongest dispersing and mixing ability, followed by the 60° and 45° kneading elements. According to the thermal and physical parameters of the material, the ignition response time is approximately 6 s, which provides a theoretical guide for the safety design of the GAP-ETPE twin-screw extruder.

Investigation of the Fracture and Fragmentation of Implosively Driven Thin-Walled Cylindrical Shell: From Thermodynamic Analysis to CDEM Simulation.

The scattering of fragments is a notable characteristic of the explosive detonation of a shelled charge. This study examines the fracture and fragmentation of the shell and the process by which natural fragments form under the strains of implosion. The analysis takes into account both the explosive's energy output and the casing's dynamic response. For this purpose, utilizing a thermochemical code as an alternative to the conventionally employed cylinder test, the Jones-Wilkins-Lee equation of state (JWL EOS) was calibrated within a range of relative specific volume up to 13. The detonation of the shelled charge was subsequently analyzed using the continuum-discontinuum element method (CDEM). Following this, the formation mechanisms and scattering characteristics of natural fragments were scrutinized. The analysis found that the shell predominantly experiences shear failure with uniform evolution, displaying a "hysteresis effect" and two mutation stages in the evolution of tensile failure. Within the JWL EOS's calibrated range, the representation of fragment displacement and velocity improved by 47.97% and 5.30%, respectively. This study provides valuable guidance for designing the power field of warheads and assessing their destructive power.

Molecular Dynamics Simulations of the Thermal Decomposition of 3,4-Bis(3-nitrofurazan-4-yl)furoxan.

When stimulated, for example, by a high temperature, the physical and chemical properties of energetic materials (EMs) may change, and, in turn, their overall performance is affected. Therefore, thermal stability is crucial for EMs, especially the thermal dynamic behavior. In the past decade, significant efforts have been made to study the thermal dynamic behavior of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF), one of the new high-energy-density materials (HEDMs). However, the thermal decomposition mechanism of DNTF is still not specific or comprehensive. In this study, the self-consistent-charge density-functional tight-binding method was combined with molecular dynamics (MD) simulations to reveal the differences in the thermal decomposition of DNTF under four heating conditions. The O-N (O) bond would fracture first during DNTF initial thermal decomposition at medium and low temperatures, thus triggering the cracking of the whole structure. At 2000 and 2500 K, NO2 loss on outer ring I is the fastest initial thermal decomposition pathway, and it determines that the decomposition mechanism is different from that of a medium-low temperature. NO2 is found to be the most active intermediate product; large molecular fragments, such as C2N2O, are found for the first time. Hopefully, these results could provide some insights into the decomposition mechanism of new HEDMs.

[Monitoring of Curing Temperature of Pouring Explosive Based on Fiber Bragg Grating].

For the first time, we real time measured released reaction heat between the binder and the curing agent in the curing process of cast explosive using fiber Bragg grating. In order to obtain the temperature in the process of pouring explosive casting real time and accurately, we designed the temperature monitoring system based on fiber Bragg grating. Given the risk of explosive component, long curing time and the requirements of constant temperature, a suitable measurement method for direct real-time monitoring has not been found. In recent years, due to its superior characteristics, fiber Bragg grating is widely used in the field of communication and sensing. We will make the collected reflection wavelength to convert real-time temperature displaying, utilizing linear relationship between fiber Bragg grating and temperature. Through WDM technology, seven grating points are written in two optical fibers to measure at the same time, and distribution trend of explosives internal temperature can be displayed in real time by multi-point distributed measurement. The curved design of the sensor not only improves the connection between sensor and jumper, but also benefits to place in oven. The txt data is made to draw a graph using origin software, and the changes in temperature in the curing process are displayed intuitively. The results show that this method is simple and high-precision, and meets the testing requirements of curing temperature of explosives.