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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Structure-Property Relationships in Molecular Crystal Deformation
Presentation Title The onset of plasticity in molecular crystals during contact loading
Author(s) David F. Bahr, Hugh Grennan, Morgan Chamberlain
On-Site Speaker (Planned) David F. Bahr
Abstract Scope Complex bonding in molecular organic crystals leads to materials where dislocations may be hard to make but easy to move, or hard to move and easy to make. Experimental studies in energetic and pharmaceutical systems find that the yield point phenomena appears when the maximum applied shear stress reaches between 2-7% of the elastic modulus of the material. The activation volume does not directly correspond to crystallography across a broad range of space groups, suggesting that dislocation nucleation in molecular crystals exhibits more complicated behavior than in maximum stress models used for atomistic processes (e.g., nucleation in metallic or ionic systems). The activation of plasticity processes in energetic molecular crystals can be directly correlated to defect density, but these defects are not the sole contributors to subsequent dislocation motion. Unlike in many metals, larger tips appear to require larger, not smaller, shear stresses to initiate plasticity.
Proceedings Inclusion? Planned:
Keywords Characterization, 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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