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Microstructure Evolution Of Chalcogenide Materials Via Molecular Dynamics, Sharmin Abdullah

Open Access Theses & Dissertations

The properties of a material are defined by its granular microstructure which is determined by its grain evolution and the types of grain boundaries present in the structure. For example, the performance of Cadmium Sulfide/Cadmium Telluride (CdS/CdTe) solar cells can be affected by the presence of grain boundaries which makes the study of grain structure evolution a very important part of solar cell performance optimization. Grain boundary mobilities are important properties in material science and engineering as they determine grain structures under given processing and operating conditions.

In this thesis, several computational tools were used to analyze the formation and …