Explosives materials are stable in soil and recalcitrant to biodegradation. Different authors report that TNT (2,4,6-trinitrotoluene), RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) are toxic, but most investigations have been performed in artificial soil with individual substances. The aim of the presented research was to assess the tox...

We report molecular dynamics (MD) simulations using the first-principles-based ReaxFF reactive force field to study the thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) at various densities and temperatures. TATB is known to produce a large amount (15-30%) of high-molecular-weight carbon clusters, whereas detonation ...

Three homeobox genes, one from Drosophila melanogaster (Drosophila Hmx gene) and two from mouse (murine Hmx2 and Hmx3) were isolated and the full-length cDNAs and corresponding genomic structures were characterized. The striking homeodomain similarity encoded by these three genes to previously identified genes in sea urchin, chick and human, as well as the recently cloned murine Hmx1 gene, and ...

Oktahidro-1,3,5,7-tetranitro-1,3,5,7-tetrazosin (HMX) askeri ve endüstriyel uygulamalarda yaygın olarak kullanılan nitramin türevi bir patlayıcıdır. HMX benzeri özelliklere sahip patlayıcılar için duyarlılık önemli parametredir. Duyarlılığın düşürülmesi sayesinde ısı, sıcaklık, çarpma, sürtünme ile statik elektrik deşarjı gibi çeşitli olayların oluşmasıyla meydana gelebilecek kontrolsüz patlama...

The closely related Green–Kubo and Helfand moment approaches are applied to obtain the thermal conductivity tensor of β-1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (β-HMX) at T=300 K P=1 atm from equilibrium molecular dynamics (MD) simulations. Direct application formula exhibits slow convergence integrated values even for long (120 ns) simulation times. To partially mitigate this we developed a nu...

The effect of elastic energy on nucleation and disappearance of a nanometer size intermediate melt (IM) region at a solid-solid (S1S2) phase interface at temperatures 120 K below the melting temperature is studied using a phase-field approach. Results are obtained for broad range of the ratios of S1S2 to solid-melt interface energies, k(E), and widths, k(δ). It is found that internal stresses o...

Der thermische Zersetzungsproze8 bei BMX Die thermische Zersetzung von HMX wurde untersucht oberhalb und unterhalb seines Schmelzpunktes unter Einsatz der Thermoanalytik und der lnfrarotspektroskopie. Der Gewichtsverlust, der auftritt, wenn die Temperatur mit konstanter Geschwindigkeit erhoht wird, laSt sich vier Elementarprozessen zuordnen: lnduktionsperiode, Sublimation, Festphasenreaktion 1....

An experimental apparatus was designed to study the non-shock initiation reaction evolution process of a HMX (cyclotetramethylenete-tranitramine)-based pressed PBX (Plastic Bonded Explosive)-A column under main constraint inertial mass explosive bulk, with strong bottom and circumferential confinements strength PMMA plate cover as threshold control internal pressure. The HMX-based PBX-A ignited...

Clustering is experimentally and theoretically verified during the complicated processes involved in heating high explosives, and has been thought to influence their detonation properties. However, a detailed description of the clustering that occurs has not been fully elucidated. We used molecular dynamic simulations with an improved reactive force field, ReaxFF_lg, to carry out a comparative ...

1,3,5-trinitroperhydro-1,3,5-triazine (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), and pentaerythritol tetranitrate (PETN), the major components in plastic explosives, pose a significant threat to public safety. A quick, sensitive, and low-cost detection method for these non-volatile explosives is eagerly demanded. Here we present a fluo-spot approach, which can be employed fo...