In this talk I will present how bifurcation theory, numerical continuation as well as deflation techniques can be used to gain sophisticated insight into atomistic energy landscapes. In particular I will (i) showcase the use of the first two in the context of capturing energy barriers to crack propagation, (ii) outline, as a proof-of-concept, how deflation techniques, developed in the last 10 years in the context of finding distinct solution of PDEs by PE Farrell, can be adapted to atomistic modelling.
Copyright. All Rights Reserved.