Fully Funded PhD on Multiscale modelling of precision machining process

The finite element method (FEM) is used by almost every engineering company to design and manufacture engineering components. One limitation of FEM is it fails at very small length scales. Therefore, FEM cannot be used to analyse various precision manufacturing processes (e.g. polishing of diamond) because material removal takes place at an atomic scale (of the order of a few nanometres) and cannot be simulated using FEM software.

Molecular Dynamics (MD) is an alternative analysis method which can simulate behaviour at atomic scale (the middle part of the snapshot) that can capture fine details of material’s microstructure. Its issue is that it is not possible to analyse entire components with MD simulation because the process becomes prohibitively expensive. The goal of this project is to use the concept of Simulation Intent to couple FEM component models with localised MD models. This resulting analysis is called a multiscale simulation. The rationale of merging or coupling these two scales lies in harnessing the fidelity of an engineering analysis without compensating the computational power and hence developing a more robust analysis method.

The main research challenge will be to develop a seamless connection along an interface between these two inherently different simulation frameworks. Two decades of consistent research has lead NASA, USA to propose a generic scheme named “embedded statistical coupling method” (ESCM) that can provide direct linkage of individual MD atoms and finite element (FE).

This algorithm however has not been tested and furthermore, some open questions remain such as:
(a) Can ESCM based approach handle three-dimensional domains and at finite temperatures?
(b) Can ESCM be extended both to solid mechanics and fluid mechanics-based problems?

The success of this project will bridge an existing FEM package (ABAQUS) with an open source MD code (LAMMPS). This project thus aims to develop an algorithm based on the ESCM based model to find out as to how the core enabling technologies of Simulation Intent can be used to study complex engineering processes of cutting, indentation etc.

The immediate uptake of the results will benefit several industries such as Rolls Royce, Sandvik, Total Energy, Airbus, Boeing and NASA where studying the behaviour of material under extreme conditions is always seen as a scientifically challenging problem.

During its lifecycle the project provide secondment opportunities, International conferences and lots of travel to the US an Europe, Training on newest machine tools, working with supercomputers (HPC).