FEIT Research Project Database

Computational mechanics of nanostructured materials


Project Leader: Christian Brandl
Primary Contact: Christian Brandl (christian.brandl@unimelb.edu.au)
Keywords: computational materials science; deformability; nanostructured materials; numerical modelling; parallel computing
Disciplines: Mechanical Engineering
Domains:

The strength and reliability of engineering materials is related to the internal microstructure, which includes materials imperfections (eg, interfaces, impurities, dislocations) with their respective size and distances to each other. Nanostructured materials have extraordinary and unexpected properties compared to traditional engineering alloys due to a nanoscale microstructure.

These nanostructures of engineering materials have an internal length scale imposed by the spacing of imperfections (ie, interfaces), which can be phase boundaries in nanocrystalline metals or nanocomposites and/or free-surfaces in, for example, nanowires or nanoparticles. In general, the emerging strength, reliability and stability is related to the properties of these interfaces and how these interfaces interaction with other imperfections in nanomaterials.

This project aims to relate the interface structure to the interface properties of advanced engineering materials by using atomistic simulations methods on high-performance computers and by testing machine learning strategies in their predictive power.

Atomistic simulation of a nanostructured material
test
Atomistic simulation of an interface
test