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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Structure-Property Relationships in Molecular Crystal Deformation
Presentation Title Understanding milling behavior of pharmaceutical crystals through quasistatic and dynamic mechanical testing
Author(s) Soumyadeep Sen, Jamshid Ochilov, Peter Yip , Tianyi Xiang, Nick Seaton, Geoffrey Rojas, Suraj Ravindran, Changquan Calvin Sun, Nathan A Mara
On-Site Speaker (Planned) Soumyadeep Sen
Abstract Scope The pharmaceutical industry has been driven to understand and enhance milling efficiency of Active Pharmaceutical Ingredients (APIs) to improve accuracy of dosage, ease of fabrication and bioavailability. We aim to inform industrial-scale dry milling models by integrating insights from Nanoindentation and dynamic (Laser-Induced Particle Impact Test) mechanical testing of D-Mannitol. Employing this pair of mechanical characterization techniques across diverse strain rates to mimic milling conditions, this research aims to investigate the effects of mechanical properties (e.g. modulus, hardness, fracture toughness, fracture and plastic deformation energy). The post-indentation/ post-impact surface morphology (slip steps vs. fracture) is analyzed via Scanning Electron Microscopy (SEM), Confocal Microscopy, Atomic Force Microscopy (AFM), and X-ray Diffraction (XRD). Mechanical behavior will be discussed in terms of the energetic competition between plastic deformation and fracture, and its dependence upon crystal structure and chemistry.
Proceedings Inclusion? Planned:
Keywords Mechanical Properties, Characterization,

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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