Quantifying mechanical properties of molecular crystals: a critical overview of experimental elastic tensors

PR Spackman, A Grosjean, SP Thomas… - Angewandte Chemie …, 2022 - Wiley Online Library
This review presents a critical and comprehensive overview of current experimental
measurements of complete elastic constant tensors for molecular crystals. For a large …

Elasticity of crystalline molecular explosives

DE Hooks, KJ Ramos, CA Bolme… - Propellants …, 2015 - Wiley Online Library
Crystalline molecular explosives are key components of engineered explosive formulations.
In precision applications a high degree of consistency and predictability is desired under a …

[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 …

Crystal plasticity including a phase-field deformation twinning model for the high-rate deformation of cyclotetramethylene tetranitramine

M Zecevic, MJ Cawkwell, KJ Ramos… - Journal of the Mechanics …, 2022 - Elsevier
A new finite strain thermomechanical model for the high-rate deformation of the β-polymorph
of cyclotetramethylene tetranitramine (β-HMX) has been developed and applied to …

Sensitivity of pore collapse heating to the melting temperature and shear viscosity of HMX

MP Kroonblawd, RA Austin - Mechanics of Materials, 2021 - Elsevier
A multiscale modeling strategy is used to quantify factors governing the temperature rise in
hot spots formed by pore collapse from supported and unsupported shock waves in the high …

Elastic Coefficients of β-HMX as Functions of Pressure and Temperature from Molecular Dynamics

A Pereverzev, T Sewell - Crystals, 2020 - mdpi.com
The isothermal second-order elastic stiffness tensor and isotropic moduli of β-1, 3, 5, 7-
tetranitro-1, 3, 5, 7-tetrazoctane (β-HMX) were calculated, using the P 2 1/n space group …

Laser-ultrasonic characterization of strongly anisotropic materials by transient grating spectroscopy

P Stoklasová, T Grabec, K Zoubková, P Sedlák… - Experimental …, 2021 - Springer
Background Transient grating spectroscopy (TGS) is a laser-ultrasonic method allowing
measurement of the surface acoustic wave (SAW) velocity in an examined material for a …

Dependence of the Elastic Stiffness Tensors of PETN, α‐RDX, γ‐RDX, ϵ‐RDX, ϵ‐CL‐20, DAAF, FOX‐7, and β‐HMX on Hydrostatic Compression

MJ Cawkwell, M Zecevic, DJ Luscher… - Propellants …, 2022 - Wiley Online Library
The dependence of the components of the elastic stiffness tensors (or elastic constants) of
the organic explosives PETN, RDX, CL‐20, DAAF, FOX‐7, and HMX on hydrostatic pressure …

Ultrafast dynamic response of single-crystal β-HMX (octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine)

JM Zaug, RA Austin, MR Armstrong… - Journal of Applied …, 2018 - pubs.aip.org
We report experimental and computational studies of shock wave dynamics in single-crystal
β-HMX on an ultrafast time scale. Here, a laser-based compression drive (∼ 1 ns in …

Determining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential

M Wen, X Chang, Y Xu, D Chen, Q Chu - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Molecular simulations of high energetic materials (HEMs) are limited by efficiency and
accuracy. Recently, neural network potential (NNP) models have achieved molecular …