Multi-scale field theory and its application to the modelling and simulation of the phenomena that take place at atomic scale was presented. Atomistic formulation of a multi-scale field theory was introduced. The governing equations for problems at a given temperature were derived. The nucleation and motion of dislocations and the formation of plastic deformation in nanoscale ionic MgO was modelled and simulated. The mechanism of deformation as well as the evolution of the stress was elucidated. Results were compared with those from molecular dynamics simulations.

Simulation of Dislocation Nucleation and Motion in Single Crystal Magnesium Oxide by a Field Theory. L.Xiong, Y.Chen, J.Lee: Computational Materials Science, 2008, 42[1], 168-77