Abstract:Within this thesis, I use atomistic Molecular Dynamics simulation to elucidate the thermomechanical properties of polyhedral oligomeric silsesquioxanes (POSS). These molecules have unique and interesting properties due to their nanoscale size and organic-inorganic nature. POSS species comprise a rigid silica core which is functionalised with organic moieties at the vertices. These nanoparticles exhibit a wide range of behaviours and properties due to the scope of viable functionalising groups. I largely focus … Show more
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