Relationship between Structure and Mechanical Behavior of Interfaces

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This research represents a coupled atomistic and continuum mechanics study of the mechanical properties and response of interfaces in bicrystals. Computer modeling will be used extensively. Although the emphasis is on grain boundaries, the results will also relate to bi-material interfaces, such as in composites. Atomistic calculations using many-body potentials will be compared with the results obtained by a continuum mechanics treatment in order to determine the required interface continuity conditions. Later, the research will concentrate on grain boundary cracks. A major objective of this research is to develop the ability to incorporate interfacial properties into the continuum treatments of interfacial cracks.