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dc.contributor.authorHamad, Mustafa
dc.contributor.supervisorAndrew Rohlen_US
dc.contributor.supervisorJulian Galeen_US
dc.contributor.supervisorVictor Caloen_US
dc.date.accessioned2021-12-02T02:57:28Z
dc.date.available2021-12-02T02:57:28Z
dc.date.issued2021en_US
dc.identifier.urihttp://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.publisherCurtin Universityen_US
dc.titleIn-Silico Prediction of the Physical Performance of Pharmaceutical Crystalsen_US
dc.typeThesisen_US
dcterms.educationLevelPhDen_US
curtin.departmentSchool of Molecular and Life Sciencesen_US
curtin.accessStatusOpen accessen_US
curtin.facultyScience and Engineeringen_US
curtin.contributor.orcidHamad, Mustafa [0000-0002-8253-8191]en_US


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