{"id":{"repo_id":"purdue-thes","oai_identifier":"oai:docs.lib.purdue.edu:open_access_dissertations-2359"},"canonical_url":"https://search.dev.ndltd.org/etd/purdue-thes/oai:docs.lib.purdue.edu:open_access_dissertations-2359","repository":{"repo_id":"purdue-thes","name":"Purdue University","base_url":"https://docs.lib.purdue.edu/do/oai/"},"display":{"title":"MODELING OF INTERFACE STRENGTH AS WELL AS INTERFACE DEFORMATION BASED ON NANOMECHANICS AND DEVELOPMENT OF INTERFACE DATABASE SYSTEMS","abstract":"Biomaterials such as bone and marine exoskeletons have primarily an organic phase (e.g. tropocollagen in bone, chitin in exoskeleton) and an inorganic phase (e.g. hydroxyapatite in bone, calcite in exoskeleton) arranged in a precisely organized multi-level hierarchical arrangement. Interfacial interactions between the organic and inorganic phases significantly affect the mechanical properties of such biomaterials. In presented study, idealized tropocollagen-hydroxyapatite and chitin-calcite interfacial systems are analyzed using a multiscale simulation framework that combines explicit three-dimensional molecular dynamics simulations with finite element simulations that take into account explicit microstructure in a three-dimensional hierarchy. The analyses focus on the shear deformation that occurs in interfaces of such materials when overall three-dimensional hierarchy is subjected to mechanical loading. In order to predict the interface stress magnitude in such systems during deformation, steered molecular dynamics simulations are performed to study the interfacial sliding process between the organic and inorganic phases at the nanoscale. A visco-plastic interfacial sliding model is used to calculate the interface strength and the shear viscosity of each interfacial system. In order to predict the effect of interface on the behavior of the material at the continuum level, a combined","abstract_html":"Biomaterials such as bone and marine exoskeletons have primarily an organic phase (e.g. tropocollagen in bone, chitin in exoskeleton) and an inorganic phase (e.g. hydroxyapatite in bone, calcite in exoskeleton) arranged in a precisely organized multi-level hierarchical arrangement. Interfacial interactions between the organic and inorganic phases significantly affect the mechanical properties of such biomaterials. In presented study, idealized tropocollagen-hydroxyapatite and chitin-calcite interfacial systems are analyzed using a multiscale simulation framework that combines explicit three-dimensional molecular dynamics simulations with finite element simulations that take into account explicit microstructure in a three-dimensional hierarchy. The analyses focus on the shear deformation that occurs in interfaces of such materials when overall three-dimensional hierarchy is subjected to mechanical loading. In order to predict the interface stress magnitude in such systems during deformation, steered molecular dynamics simulations are performed to study the interfacial sliding process between the organic and inorganic phases at the nanoscale. A visco-plastic interfacial sliding model is used to calculate the interface strength and the shear viscosity of each interfacial system. In order to predict the effect of interface on the behavior of the material at the continuum level, a combined","abstract_has_math":false,"creators":["Qu, Tao"],"institution":null,"degree_name":"Doctor of Philosophy (PhD)","degree_level":"Dissertation","degree_discipline":"Aeronautics and Astronautics","degree_department":null,"school":null,"contributors":["Vikas Tomar","R. Byron Pipes","C-T Sun","Christian Hellmich","Jong H. Choi"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-01-01T08:00:00Z","date_published":"2015-01-01T08:00:00Z","updated_at":"2026-07-24T03:54:25Z","subjects":["Biomaterials","Composite Materials","Finite Element Modeling","Fracture Mechanics","Interface","Molecular Dynamics"],"languages":[],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://docs.lib.purdue.edu/open_access_dissertations/1143","outbound_label":"Repository record","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Vikas Tomar","R. Byron Pipes","C-T Sun","Christian Hellmich","Jong H. 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Interfacial interactions between the organic and inorganic phases significantly affect the mechanical properties of such biomaterials. In presented study, idealized tropocollagen-hydroxyapatite and chitin-calcite interfacial systems are analyzed using a multiscale simulation framework that combines explicit three-dimensional molecular dynamics simulations with finite element simulations that take into account explicit microstructure in a three-dimensional hierarchy. The analyses focus on the shear deformation that occurs in interfaces of such materials when overall three-dimensional hierarchy is subjected to mechanical loading. In order to predict the interface stress magnitude in such systems during deformation, steered molecular dynamics simulations are performed to study the interfacial sliding process between the organic and inorganic phases at the nanoscale. A visco-plastic interfacial sliding model is used to calculate the interface strength and the shear viscosity of each interfacial system. In order to predict the effect of interface on the behavior of the material at the continuum level, a combined"]},{"key":"dc:title","label":"Title","values":["MODELING OF INTERFACE STRENGTH AS WELL AS INTERFACE DEFORMATION BASED ON NANOMECHANICS AND DEVELOPMENT OF INTERFACE DATABASE SYSTEMS"]}]}],"canonical_facts":{"dc:contributor":["Vikas Tomar","R. Byron Pipes","C-T Sun","Christian Hellmich","Jong H. Choi"],"dc:creator":["Qu, Tao"],"dc:description.abstract":["Biomaterials such as bone and marine exoskeletons have primarily an organic phase (e.g. tropocollagen in bone, chitin in exoskeleton) and an inorganic phase (e.g. hydroxyapatite in bone, calcite in exoskeleton) arranged in a precisely organized multi-level hierarchical arrangement. Interfacial interactions between the organic and inorganic phases significantly affect the mechanical properties of such biomaterials. In presented study, idealized tropocollagen-hydroxyapatite and chitin-calcite interfacial systems are analyzed using a multiscale simulation framework that combines explicit three-dimensional molecular dynamics simulations with finite element simulations that take into account explicit microstructure in a three-dimensional hierarchy. The analyses focus on the shear deformation that occurs in interfaces of such materials when overall three-dimensional hierarchy is subjected to mechanical loading. In order to predict the interface stress magnitude in such systems during deformation, steered molecular dynamics simulations are performed to study the interfacial sliding process between the organic and inorganic phases at the nanoscale. A visco-plastic interfacial sliding model is used to calculate the interface strength and the shear viscosity of each interfacial system. In order to predict the effect of interface on the behavior of the material at the continuum level, a combined"],"dc:identifier":["https://docs.lib.purdue.edu/open_access_dissertations/1143"],"dc:subject":["Biomaterials","Composite Materials","Finite Element Modeling","Fracture Mechanics","Interface","Molecular Dynamics"],"dc:title":["MODELING OF INTERFACE STRENGTH AS WELL AS INTERFACE DEFORMATION BASED ON NANOMECHANICS AND DEVELOPMENT OF INTERFACE DATABASE SYSTEMS"],"thesis:degree_discipline":["Aeronautics and Astronautics"],"thesis:degree_level":["Dissertation"],"thesis:degree_name":["Doctor of Philosophy (PhD)"]},"updated_at":"2026-07-24T03:54:25Z"}