Artificial intelligence approaches for energetic materials by design: state of the art, challenges, and future directions

JB Choi, PCH Nguyen, O Sen… - Propellants …, 2023 - Wiley Online Library
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 …

Deep learning for synthetic microstructure generation in a materials-by-design framework for heterogeneous energetic materials

S Chun, S Roy, YT Nguyen, JB Choi, HS Udaykumar… - Scientific reports, 2020 - nature.com
The sensitivity of heterogeneous energetic (HE) materials (propellants, explosives, and
pyrotechnics) is critically dependent on their microstructure. Initiation of chemical reactions …

Modeling the effects of shock pressure and pore morphology on hot spot mechanisms in HMX

HK Springer, S Bastea, AL Nichols III… - Propellants …, 2018 - Wiley Online Library
We investigate the effects of shock pressure and pore morphology on the formation and
growth of hot spots in HMX (octahydro‐1, 3, 5, 7‐tetranitro‐1, 3, 5, 7‐tetrazocine). Both non …

Unsupervised learning-based multiscale model of thermochemistry in 1, 3, 5-trinitro-1, 3, 5-triazinane (RDX)

MN Sakano, A Hamed, EM Kober, N Grilli… - The Journal of …, 2020 - ACS Publications
The response of high-energy-density materials to thermal or mechanical insults involves
coupled thermal, mechanical, and chemical processes with disparate temporal and spatial …

Tandem Molecular Dynamics and Continuum Studies of Shock‐Induced Pore Collapse in TATB

P Zhao, S Lee, T Sewell… - Propellants, Explosives …, 2020 - Wiley Online Library
All‐atom molecular dynamics (MD) and Eulerian continuum simulations, performed using
the LAMMPS and SCIMITAR3D codes, respectively, were used to study thermo‐mechanical …

Observing hot spot formation in individual explosive crystals under shock compression

BP Johnson, X Zhou, H Ihara… - The Journal of Physical …, 2020 - ACS Publications
The formation of hot spots in dynamically compressed, plastic-bonded explosives is known
to be the primary mechanism by which these materials ignite and initiate, but hot spots are …

Void collapse generated meso-scale energy localization in shocked energetic materials: Non-dimensional parameters, regimes, and criticality of hotspots

NK Rai, HS Udaykumar - Physics of Fluids, 2019 - pubs.aip.org
The formation of hotspots due to collapse of voids leads to enhanced sensitivity of
heterogeneous energetic (HE) materials. Several mechanisms of void collapse have been …

High-resolution simulations of cylindrical void collapse in energetic materials: Effect of primary and secondary collapse on initiation thresholds

NK Rai, MJ Schmidt, HS Udaykumar - Physical Review Fluids, 2017 - APS
Void collapse in energetic materials leads to hot spot formation and enhanced sensitivity.
Much recent work has been directed towards simulation of collapse-generated reactive hot …

Three-dimensional simulations of void collapse in energetic materials

NK Rai, HS Udaykumar - Physical Review Fluids, 2018 - APS
The collapse of voids in porous energetic materials leads to hot-spot formation and reaction
initiation. This work advances the current knowledge of the dynamics of void collapse and …

[HTML][HTML] Multi-scale shock-to-detonation simulation of pressed energetic material: A meso-informed ignition and growth model

O Sen, NK Rai, AS Diggs, DB Hardin… - Journal of Applied …, 2018 - pubs.aip.org
This work presents a multiscale modeling framework for predictive simulations of shock-to-
detonation transition (SDT) in pressed energetic (HMX) materials. The macro-scale …