In-Silico Prediction of the Physical Performance of Pharmaceutical Crystals
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 appli...
| Main Author: | |
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| Format: | Thesis |
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Curtin University
2021
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| Online Access: | http://hdl.handle.net/20.500.11937/86652 |
| _version_ | 1848764852175110144 |
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| author | Hamad, Mustafa |
| author_facet | Hamad, Mustafa |
| author_sort | Hamad, Mustafa |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T11:25:56Z |
| format | Thesis |
| id | curtin-20.500.11937-86652 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T11:25:56Z |
| publishDate | 2021 |
| publisher | Curtin University |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-866522022-01-06T23:42:59Z In-Silico Prediction of the Physical Performance of Pharmaceutical Crystals Hamad, Mustafa 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. 2021 Thesis http://hdl.handle.net/20.500.11937/86652 Curtin University fulltext |
| spellingShingle | Hamad, Mustafa In-Silico Prediction of the Physical Performance of Pharmaceutical Crystals |
| title | In-Silico Prediction of the Physical Performance
of Pharmaceutical Crystals |
| title_full | In-Silico Prediction of the Physical Performance
of Pharmaceutical Crystals |
| title_fullStr | In-Silico Prediction of the Physical Performance
of Pharmaceutical Crystals |
| title_full_unstemmed | In-Silico Prediction of the Physical Performance
of Pharmaceutical Crystals |
| title_short | In-Silico Prediction of the Physical Performance
of Pharmaceutical Crystals |
| title_sort | in-silico prediction of the physical performance
of pharmaceutical crystals |
| url | http://hdl.handle.net/20.500.11937/86652 |