Selecting the best material to deliver optimum performance in real-world applications is one of the most significant challenges in engineering. Hundreds of thousands of computationally-predicted, but experimentally unexplored materials exist today in the public inorganic material databases as candidates for consideration. This thesis discusses three projects in the domain of...
Polymer nanocomposites are a designer class of materials where nanoscale particles, functional chemistry and polymer matrix combine to yield unprecedented combinations of superior physical properties. While well-defined data representation and quantitative models have been developed in material science domains such as metallic alloys, polymer nanocomposites have remained a largely untouched...