This review discusses several computational methods used on different length and time
scales for the simulation of material behavior. First, the importance of physical modeling and …

All of the above-mentioned spaces have specific geometrical properties, but they also share
something in common, which has to do with them being continuous spaces rather than …

We present a novel computational method that makes it possible to directly extract
dislocation lines and their associated Burgers vectors from three-dimensional atomistic …

The design of alloys is a multi-scale problem that requires a holistic approach that involves
retrieving relevant knowledge, applying advanced computational methods, conducting …

Molecular-dynamics simulation can give atomistic information on the processes occurring in
nanoindentation experiments. In particular, the nucleation of dislocation loops, their growth …

Molecular dynamics (MD) simulation is applied to study the plastic deformation response of
the nanoscratching process via the investigation of an indenter sliding on the surface of …

The global response of a system is often governed by the material behaviour at smaller
length scales. Investigating the system mechanics at the smallest scale does not always …

Modeling crack propagation in crystalline materials is a challenging enterprise due to
complexities induced by the interaction of the crack with various deformation mechanisms …

The paper presents a multiscale method for crack propagation. The coarse region is
modelled by the differential reproducing kernel particle method. Fracture in the coarse scale …

The intrinsic brittleness and ductility of intergranular fracture along a number of symmetrical
[110] tilt grain boundaries (GBs) in Cu are investigated via combined atomistic and …