| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Characterization Techniques for Quantifying and Modeling Deformation
|
| Presentation Title |
Structure-property Correlations in Molecular Crystals Determined via Nanoindentation and Molecular Mechanics Modeling |
| Author(s) |
Sushmita Majumder, Gerrit Vreeman, Javier Garcia Barriocanal, Greg Haugstad, Changquan Calvin Sun, Nathan Mara |
| On-Site Speaker (Planned) |
Sushmita Majumder |
| Abstract Scope |
Mechanical properties of molecular crystals profoundly influence pharmaceutical milling and tableting operations due to the dependence of these processes on crystal fragmentation and plastic deformation phenomena. Although mechanical properties of individual molecular crystals have been studied previously, the correlation between these properties and underlying crystal structure remains poorly explored. We quantify the elastic modulus, hardness, and anisotropy of succinic acid via nanoindentation on different crystal planes. The obtained mechanical responses are correlated with slip plane orientation and slip directions analyzed via slip trace analysis and molecular mechanics modeling software. Through this correlation, molecular-level properties such as attachment energies and intermolecular interaction energies can be linked to mechanical behavior of different crystal faces under an applied load. This attempt to establish a fundamental understanding of crystal mechanical properties as a function of crystal geometrical features will help design of crystals optimized for milling and tableting operations. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Mechanical Properties, Characterization, |