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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Structure-Property Relationships in Molecular Crystal Deformation
Presentation Title Understanding the correlation between mechanical properties, crystal structure and tabletability of pharmaceutical cocrystals
Author(s) Sushmita Majumder, Vikram Chandrashekhar Joshi, Changquan Calvin Sun, Nathan A. Mara
On-Site Speaker (Planned) Sushmita Majumder
Abstract Scope This study investigates the relationship between crystal structure and nano mechanical properties of pharmaceutical cocrystals. Two cocrystals - carbamazepine-succinic acid and carbamazepine-glutaric acid, were used as model compounds. Nanoindentation measurements were performed on specific crystal faces to determine their hardness, elastic modulus, fracture toughness, and brittleness index values. The results reveal a qualitative correlation between crystal packing, intermolecular interactions, and mechanical behavior. Between the two faces of the cocrystals studied, the one exhibiting stronger three-dimensional hydrogen bonding networks demonstrated higher hardness and elastic modulus values. Further, the cocrystals with a lower brittleness index exhibited improved tabletability and reduced tendency for capping during tableting. Such structure-property insight enables rational design of cocrystals with tailored mechanical properties and enhanced tabletability. It also underscores the potential of nanoindentation as a powerful technique for guiding the rational design of pharmaceutical cocrystals with optimal mechanical properties for tablet formulation.
Proceedings Inclusion? Planned:
Keywords Characterization, Mechanical Properties, Other

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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