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 …

Ordinarily, the strength and plasticity properties of a metal are defined by dislocations—line
defects in the crystal lattice whose motion results in material slippage along lattice planes …

While material design and mechanical properties have been extensively investigated in
medium entropy alloy (MEA), resources are no available to evaluate more complex …

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

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) …

We present molecular dynamics simulations of shock compression and spall fracture in [111]
copper single crystals with pre-existing dislocations. Shock waves are simulated for an …

Abstract High-power, short-duration, laser-driven, shock compression and recovery
experiments on [001] silicon unveiled remarkable structural changes above a pressure …

Strain rate, temperature, and microstructure play a significant role in the mechanical
response of materials. Using non-equilibrium molecular dynamics simulations, we …

Nanoindentation simulations are a helpful complement to experiments. There is a dearth of
nanoindentation simulations for bcc metals, partly due to the lack of computationally efficient …