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Crystals of energetic materials, such as HMX, embedded in plastic binders are the building blocks of plastic-bonded explosives. Such heterogeneous energetic materials contain microstructural features such as sharp corners, interfaces…
Meso-scale simulations of energy localization at hotspots provide closure models for multiscale frameworks of shock-to-detonation transition (SDT). Validation of such meso-scale calculations is challenging as direct comparison with…
The shock-to-detonation transition in energetic materials is governed by coupled processes spanning Angstroms to millimeters and femtoseconds to microseconds, where traditional multiscale models fail due to the lack of scale separation. We…
Recent developments dedicated to the building of multiscale mechanical and chemical constitutive laws for energetic molecular crystals are presented and discussed. In particular, various tools have been specifically incorporated in…
High energy materials such as polymer bonded explosives are commonly used as propellants. These particulate composites contain explosive crystals suspended in a rubbery binder. However, the explosive nature of these materials limits the…
CEA-Gramat studies the sensitivity of energetic materials to enhance their security and reliability. The conditions leading to the initiation of an explosive must be understood to control its sensitivity. According to the hot spots theory,…
The shock initiation of energetic materials is mediated by the localization of mechanical energy into hotspots. These originate through the interaction of the shock and material microstructure; the most potent hotspots are formed by the…
The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including chemical reactions and phase transitions, are significantly…
The shock response of two-dimensional model high explosive crystals with various arrangements of circular voids is explored. We simulate a piston impact using molecular dynamics simulations with a Reactive Empirical Bond Order (REBO) model…
In energetic materials, the localization of energy into "hotspots" when a shock wave interacts with the material's microstructure is known to dictate the initiation of chemical reactions and detonation. Recent results have shown that,…
Modeling shock-to-detonation phenomena in energetic materials (EMs) requires capturing complex physical processes such as strong shocks, rapid changes in microstructural morphology, and nonlinear dynamics of chemical reaction fronts. These…
Synthetic polymeric materials underpin fundamental technologies in the energy, electronics, consumer goods, and medical sectors, yet their development still suffers from prolonged design timelines. Although polymer informatics tools have…
The sensitivity of heterogeneous energetic (HE) materials (propellants, explosives, and pyrotechnics) is critically dependent on their microstructure. Initiation of chemical reactions occurs at hot spots due to energy localization at sites…
Hydrogen isotopes are retained in materials for fusion power applications, changing both hydrogen embrittlement and tritium inventory as the microstructure undergoes irradiation damage. But modelling of highly damaged materials - exposed to…
An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dissipative Particule Dynamics is presented and applied to liquid nitromethane. Large scale non-equilibrium simulations of reacting…
Various systems can be modeled as a point-like explosion of ionized debris into a magnetized, collisionless background plasma -- including astrophysical examples, active experiments in space, and laser-driven laboratory experiments. Debris…
Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on X-ray computed tomography, experimental dielectric data,…
We consider a composite medium, which consists of a homogeneous matrix containing a statistically homogeneous set of multimodal spherical inclusions. This model is used to represent the morphology of heterogeneous solid propellants (HSP)…
The fracture simulation of random particle reinforced composite structures remains a challenge. Current techniques either assumed a homogeneous model, ignoring the microstructure characteristics of composite structures, or considered a…
When a given weight dropped onto an explosive charge, explosion or not is probabilistic for certain impact energy and the frequency of explosion is always increase with increasing impact energy. Based on experimental results and recently…