Multi-component alloys have demonstrated excellent performance in various applications,
but the vast range of possible compositions and microstructures makes it challenging to …

Large-scale atomistic computer simulations of materials rely on interatomic potentials
providing computationally efficient predictions of energy and Newtonian forces. Traditional …

This paper reviews the recent progress in understanding the atomic mechanisms of short-
circuit diffusion along materials interfaces, such as grain and interphase boundaries, as well …

Vapour–liquid–solid route and its variants are routinely used for scalable synthesis of
semiconducting nanowires, yet the fundamental growth processes remain unknown. Here …

Metal-semiconductor nanostructures are key objects for multifunctional electronics and
optical design. We report a new interatomic potential for atomistic simulation of a ternary Si …

Recent laser-initiated strong shockwave measurements at Livermore provide the opportunity
for verification of the MgO phase diagram at extreme pressures and temperatures. This calls …

Based on experiments and first-principles calculations, a Ni–Al–Re system embedded atom
method (EAM) potential is constructed for the γ (Ni)/γ'(Ni 3 Al) superalloy. The contribution of …

Methods for and the results of the computer simulation of liquid metals are reviewed. Two
basic methods, classical molecular dynamics with known interparticle potentials and the ab …

The void formation and plastic deformation micromechanisms of a cold-rolled DP600 steel
during tensile loading were studied by scanning electron microscopy (SEM) and electron …

Molecular dynamics (MD) simulations are used to investigate the role of size and distribution
of nanoscale Cu/Ta interfaces on the nucleation and evolution of defects during shock …