In-Silico Prediction of the Physical Performance of Pharmaceutical Crystals
dc.contributor.author | Hamad, Mustafa | |
dc.contributor.supervisor | Andrew Rohl | en_US |
dc.contributor.supervisor | Julian Gale | en_US |
dc.contributor.supervisor | Victor Calo | en_US |
dc.date.accessioned | 2021-12-02T02:57:28Z | |
dc.date.available | 2021-12-02T02:57:28Z | |
dc.date.issued | 2021 | en_US |
dc.identifier.uri | http://hdl.handle.net/20.500.11937/86652 | |
dc.description.abstract |
Knowledge of the hardness of pharmaceutical crystals expedites the large-scale manufacturing of drug tablets. This research involved the development and testing of computational methods to simulate the various deformations of crystals that lead to the calculation of hardness. Both methods were applied to a range of materials and provided a consistent ranking of the slip systems with experiment, a detailed atomistic description of the deformation mechanisms, and the calculation of ideal shear strength. | en_US |
dc.publisher | Curtin University | en_US |
dc.title | In-Silico Prediction of the Physical Performance of Pharmaceutical Crystals | en_US |
dc.type | Thesis | en_US |
dcterms.educationLevel | PhD | en_US |
curtin.department | School of Molecular and Life Sciences | en_US |
curtin.accessStatus | Open access | en_US |
curtin.faculty | Science and Engineering | en_US |
curtin.contributor.orcid | Hamad, Mustafa [0000-0002-8253-8191] | en_US |