High-Entropy Alloys as Nanofoams
Atomistic modelling of thermodynamic and structural properties
High- and medium-entropy alloys (HEAs and MEAs) are a new class of metallic materials that contain multiple elements at high concentrations and form solid solutions.They are a subclass of concentrated random alloys and outrival the mechanical properties of conventional alloys. Moreover they are a attractive as catalysts. Thus, nanofoams of HEA alloys would be a material class offering a large specific surface in a bulk material. However, little is known about structural, thermodynamic and mechanical properties of such nanofoams.
The goal of this project is to explore properties of nanoporous high-entropy alloys by means of atomistic computer simulations using LAMMPs. By combining molecular dynamics simulations and Monte-Carlo technique element distributions will be predicted for foams with different pore fractions and ligamend sizes and the mechanical response will be characterized.