Engineering Commons^™

Computation Aided Design Of Multicomponent Refractory Alloys With A Focus On Mechanical Properties, Paul Daniel Clark

Electronic Theses and Dissertations

Quantum mechanical calculations paired with exponential growth in computer processing speed has created a paradigm shift in materials discovery. Simulations can be carried out to accurately predict structure-composition-property relationships of novel systems. This work focuses on calculating elastic properties of high entropy alloys, a new class of alloys that are built from 4+ elements in equi-atomic proportion. These alloys often exhibit simple microstructures and each constituent element contributes its properties to the overall bulk properties of the amalgamated material. This "cocktail" effect has led to the discovery of many alloys which could drive technical advances in the future. Elastic properties …