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LIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODEL

dc.contributor.authorPlucinski, Michal
dc.contributor.copyright-releaseNoen_US
dc.contributor.degreeMaster of Scienceen_US
dc.contributor.departmentDepartment of Chemistryen_US
dc.contributor.ethics-approvalNot Applicableen_US
dc.contributor.external-examinern/aen_US
dc.contributor.graduate-coordinatorDr. Mark Stradiottoen_US
dc.contributor.manuscriptsNoen_US
dc.contributor.thesis-readerDr. Russell Boyden_US
dc.contributor.thesis-readerDr. Peng Zhangen_US
dc.contributor.thesis-supervisorDr. Josef Zwanzigeren_US
dc.date.accessioned2014-10-22T17:24:13Z
dc.date.available2014-10-22T17:24:13Z
dc.date.defence2014-09-12
dc.date.issued2014-10-22
dc.description.abstractThe Makishima Mackenzie model, used to predict the elastic properties of glass, is explored in terms of both accuracy and predictive properties. Its limitations are outlined, in particular for borate glass, and a new framework is proposed to explain the mechanics that underlie the elasticity of network systems. This framework explains the limitations of the Makishima Mackenzie model, and why it functions in many but not all cases. The overall level of rigidity of the system can be predicted with the counts of the number of constraints and degrees of freedom in a system. Simulations are also performed that explore the dependency of elastic properties on various variables. The density of a system is found to be independent of elasticity, while the average coordination number is found to be strongly dependent. A new equation is determined that connects the Young’s modulus and the average coordi- nation number, applicable for constrained systems.en_US
dc.identifier.urihttp://hdl.handle.net/10222/55953
dc.language.isoen_USen_US
dc.subjectChemistryen_US
dc.subjectMaterials Scienceen_US
dc.subjectComputational Chemistryen_US
dc.subjectPhysical Chemistryen_US
dc.titleLIMITATIONS AND EXTENSIONS OF THE MAKISHIMA MACKENZIE MODELen_US

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