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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Structure-Property Relationships in Molecular Crystal Deformation
Presentation Title Dislocation mediated plasticity in PETN: indentation and high-rate deformation
Author(s) Milovan Zecevic, Alexandra Christine Burch, Morgan Chamberlain, David Bahr, Marc Jon Cawkwell, Virginia Warren Manner
On-Site Speaker (Planned) Milovan Zecevic
Abstract Scope Pentaerythritol tetranitrate (PETN) is an energetic molecular crystal with tetragonal space group symmetry. We calibrate a PETN single crystal model to indentation and plate impact experiments, where the loading conditions suppress fracture and allow for the onset of plasticity. For indentation experiments, we use a quasistatic model with a modified Voce hardening law. The model can predict the hardness anisotropy for a given slip system geometry. Hence, we use the model to define a viable set of active slip systems. Plate impact experiments expose single crystals of PETN to high-rate uniaxial strain compression along different crystallographic directions. The material response in terms of particle velocity is largely anisotropic. We simulate the plate impact experiments with an explicit single crystal plasticity model based on dislocation density and velocity. We find that the active slip systems in combination with the accurate elastic anisotropy are important for matching the plate impact experiments.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Mechanical Properties,

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A shocking look into the large single crystal energetics and their analogues
Advances in mesoscale modelling of highly filled composite explosives
Crystal structure prediction of energetic materials using Genarris and GAtor
Dislocation mediated plasticity in PETN: indentation and high-rate deformation
Elucidating Tabletability of Pharmaceutical Solids based on Plasticity Quantified by Nanoindentation
From Atoms to Constituent Models for Energetic Molecular Crystals
high-fidelity simulations of shock to detonation transition
Impact of Nanoindentation Tip Geometry on Orientation-Dependent Nanomechanical Behavior of PETN
In-situ Mechanical Characterization of Molecular Crystal Materials
Interconnections between High Explosive Mechanical Strength and Reactivity in the Buildup to Detonation
Mechanical Properties in Pharmaceutical Solid Oral Dosage Form Development: Bridging Molecular Interactions and Performance
Mechanical response of single crystal acetaminophen over an extended strain rate
Molecular Crystals - A New Class in the Global Materials Space
Multi-Scale Model For Describing The Thermo-Mechanical Behavior Of Polycrystalline Energetic System Subjected To Dynamic Loadings
Multiscale Modeling of Material Strength for the Shock-to-Detonation Behavior in Heterogeneous PETN
Organic Molecular Crystals as Explosive Simulants in Polymer Composites
Physical Aspects of Plasticity and Constitutive Modeling of Molecular Crystal HMX
Plasticity and heat conversion of energetic materials under different dynamic loading conditions
Quantitative Analysis of Granular Explosives through Examination of the Compaction Manufacturing Process
The onset of plasticity in molecular crystals during contact loading
The ultimate strength of plastic bonded explosives under uniaxial stress compression at strain-rates beyond 1000 /s
Understanding milling behavior of pharmaceutical crystals through quasistatic and dynamic mechanical testing
Understanding the correlation between mechanical properties, crystal structure and tabletability of pharmaceutical cocrystals
Using Terahertz Spectroscopy to Probe the Reactive Coordinates and the Mechanical Response of Crystalline Solids

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