Deformation twinning is an important plastic carrier competing with the ordinary dislocation
slip in a broad class of crystalline solids, which critically controls the mechanical properties …

Molecular simulation is a powerful computational tool for a broad range of applications
including the examination of materials properties and accelerating drug discovery. At the …

Liquids and solids are two fundamental states of matter. However, our understanding of their
three-dimensional atomic structure is mostly based on physical models. Here we use atomic …

Grain size has a profound effect on the mechanical response of metals. Molecular dynamics
continues to expand its range from a handful of atoms to grain sizes up to 50 nm, albeit …

The aim of this Tutorial is to help new researchers understand how to perform molecular
dynamics (MD) simulations of the shock response of materials and to provide a brief …

We introduce a machine-learning interatomic potential for tungsten using the Gaussian
approximation potential framework. We specifically focus on properties relevant for …

Pressure-driven shock waves in solid materials can cause extreme damage and
deformation. Understanding this deformation and the associated defects that are created in …

We examine the effect of grain size on the dynamic failure of tantalum during laser-shock
compression and release and identify a significant effect of grain size on spall strength …

The mechanisms of deformation under a nanoindentation in tantalum, chosen as a model
body-centered cubic (bcc) metal, are identified and quantified. Molecular dynamics (MD) …

Nanoindentation experiments in metal surfaces are characterized by the onset of plastic
instabilities along with the development of permanent nanoimprints and dense defect …