Dislocations and heat conduction are essential components that influence properties and
performance of crystalline materials, yet the modelling of which remains challenging partly …

We consider a nanomachining process of hard, abrasive particles grinding on the rough
surface of a polycrystalline ferritic work piece. Using extensive large-scale molecular …

A dynamic multiscale simulation method has been used to study the nanoscale material
removal processes for single crystals. The model simultaneously captures the atomistic …

In this work, we present a seamless, energy-conserving method to couple atomistic and
continuum representations of a temperature field in a material. This technique allows a …

As motivation builds to consider mechanics of nanometer scale objects, it is increasingly
advantageous to implement models with finer resolution than standard continuum …

A theoretical–computational protocol to model the Joule heating process in nanocomposite
materials is presented. The proposed modeling strategy is based on post processing of …

Even though resistance switching memories (RRAMs) can be potentially employed in a
broad variety of fields, such as electronics and brain science, they are still affected by issues …

Displacement cascade simulations were conducted for the γ uranium system based on
molecular dynamics. A recently developed modified embedded atom method (MEAM) …

Presented in this chapter is an overview of molecular dynamics simulation (MDS) as applied
to modeling damage in metals. This is followed by some examples that illustrate how this …

Machining of workpieces can massively change the microstructure close to the surface, so
that the material properties there differ significantly from bulk properties The latter are …