Artificial intelligence approaches for energetic materials by design: state of the art, challenges, and future directions
Artificial intelligence (AI) is rapidly emerging as a enabling tool for solving complex materials
design problems. This paper aims to review recent advances in AI‐driven materials‐by …
design problems. This paper aims to review recent advances in AI‐driven materials‐by …
[HTML][HTML] Molecular dynamics-guided material model for the simulation of shock-induced pore collapse in β-octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (β-HMX)
Material models for single-crystal β-HMX are systematically examined in the context of
continuum pore-collapse simulations. Continuum predictions using five different isotropic …
continuum pore-collapse simulations. Continuum predictions using five different isotropic …
Tandem Molecular Dynamics and Continuum Studies of Shock‐Induced Pore Collapse in TATB
All‐atom molecular dynamics (MD) and Eulerian continuum simulations, performed using
the LAMMPS and SCIMITAR3D codes, respectively, were used to study thermo‐mechanical …
the LAMMPS and SCIMITAR3D codes, respectively, were used to study thermo‐mechanical …
A Physics‐Aware Deep Learning Model for Energy Localization in Multiscale Shock‐To‐Detonation Simulations of Heterogeneous Energetic Materials
Predictive simulations of the shock‐to‐detonation transition (SDT) in heterogeneous
energetic materials (EM) are vital to the design and control of their energy release and …
energetic materials (EM) are vital to the design and control of their energy release and …
[HTML][HTML] Continuum models for meso-scale simulations of HMX (1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocane) guided by molecular dynamics: Pore collapse, shear bands …
Meso-scale calculations of energy localization and initiation in energetic material
microstructures must capture the deformation and collapse of pores and high-temperature …
microstructures must capture the deformation and collapse of pores and high-temperature …
PARC: Physics-aware recurrent convolutional neural networks to assimilate meso scale reactive mechanics of energetic materials
The thermo-mechanical response of shock-initiated energetic materials (EMs) is highly
influenced by their microstructures, presenting an opportunity to engineer EM …
influenced by their microstructures, presenting an opportunity to engineer EM …
Mechanics of shock induced pore collapse in poly (methyl methacrylate)(PMMA): Comparison of simulations and experiments
Head-to-head comparisons are made between calculations and experimental data on shock-
driven pore collapse in the transparent material, poly (methyl methacrylate)(PMMA) …
driven pore collapse in the transparent material, poly (methyl methacrylate)(PMMA) …
Multi-scale modeling of shock initiation of a pressed energetic material I: The effect of void shapes on energy localization
Accurate simulations of the shock response of heterogeneous energetic (HE) materials
require closure models, which account for energy localization in the micro-structure. In a …
require closure models, which account for energy localization in the micro-structure. In a …
[HTML][HTML] Macro-scale sensitivity through meso-scale hotspot dynamics in porous energetic materials: Comparing the shock response of 1, 3, 5-triamino-2, 4, 6 …
The sensitivity of an energetic material is strongly influenced by its microstructure. This work
distinguishes the roles played by the microstructure (ie, the meso-scale) in the macro-scale …
distinguishes the roles played by the microstructure (ie, the meso-scale) in the macro-scale …
Structure–property–performance linkages for heterogenous energetic materials through multi-scale modeling
In porous solid energetic materials, the mechanical processing technique (eg casting,
pressing) creates defects such as voids, cracks, interfaces, and inclusions; these defects in …
pressing) creates defects such as voids, cracks, interfaces, and inclusions; these defects in …