[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)

P Das, P Zhao, D Perera, T Sewell… - Journal of Applied …, 2021 - pubs.aip.org
Material models for single-crystal β-HMX are systematically examined in the context of
continuum pore-collapse simulations. Continuum predictions using five different isotropic …

A Physics‐Aware Deep Learning Model for Energy Localization in Multiscale Shock‐To‐Detonation Simulations of Heterogeneous Energetic Materials

PCH Nguyen, YT Nguyen, PK Seshadri… - Propellants …, 2023 - Wiley Online Library
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 …

Multi-scale modeling of shock initiation of a pressed energetic material I: The effect of void shapes on energy localization

Y Nguyen, P Seshadri, O Sen, DB Hardin… - Journal of Applied …, 2022 - pubs.aip.org
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 …

Physically evocative meso-informed sub-grid source term for energy localization in shocked heterogeneous energetic materials

YT Nguyen, PK Seshadri, HS Udaykumar - Journal of Applied Physics, 2023 - pubs.aip.org
Reactive burn models for heterogeneous energetic materials (EMs) must account for
chemistry as well as microstructure to predict shock-to-detonation transition (SDT). Upon …

[HTML][HTML] Novel method to control explosive shock sensitivity: A mesoscale study to understand the effect of thermally expandable microsphere (TEM) inclusions in high …

NK Rai, W Lee Perry, AL Duque - Journal of Applied Physics, 2022 - pubs.aip.org
When the void content and/or void structure of a high explosive (HE) is altered by some
means (ie, bulk heating or mechanical damage), the shock initiation behavior of the material …

Crystal-scale modelling of pore collapse in cyclotetramethylene tetranitramine (HMX) under different shock strengths

XJ Wang, ZP Duan, Z Bai, FL Huang - Mechanics of Materials, 2022 - Elsevier
A physically-based anisotropic thermal-mechanical-chemical crystal model is developed for
cyclotetramethylene tetranitramine (HMX), which includes nonlinear thermoelasticity …

Structure and properties of dislocations and the twin boundary on (101) in β-cyclotetramethylene tetranitramine

MJ Cawkwell, N Mohan, M Zecevic… - Philosophical …, 2022 - Taylor & Francis
Dispersion-corrected density functional theory calculations of the generalised stacking fault
energy surface of the (101) plane in monoclinic β-cyclotetramethylene tetranitramine (β …

Complete equations of state for cyclotetramethylene tetranitramine

MJ Cawkwell, M Zecevic, DJ Luscher… - Propellants …, 2021 - Wiley Online Library
Complete equations of state for the volumetric deformation of the β‐polymorph of
cyclotetramethylene tetranitramine (β‐HMX) have been derived from its Helmholtz free …

[HTML][HTML] Multi-scale modeling of shock initiation of a pressed energetic material. II. Effect of void–void interactions on energy localization

YT Nguyen, PK Seshadri, O Sen, DB Hardin… - Journal of Applied …, 2022 - pubs.aip.org
Heterogeneous energetic materials (EMs) contain microstructural defects such as voids,
cracks, interfaces, and delaminated zones. Under shock loading, these defects offer …

On resolving meso-scale calculations of pore-collapse-generated hotspots in energetic crystals for consistency with atomistic models

C Okafor, J Herrin, CR Picu, T Sewell… - arXiv preprint arXiv …, 2024 - arxiv.org
Meso-scale calculations of pore collapse and hotspot formation in energetic crystals provide
closure models to macro-scale hydrocodes for predicting the shock sensitivity of energetic …