Generally displacement fields in the vicinity of voids were determined by the equations of theory of elasticity. Such a description has its disadvantages as it doesn’t take into account the discrete atomic structure of materials and it should be expected that atom displacements in the vicinity of nanovoids should significantly differ from the predictions of mentioned theory. In our recent works...

In this work, molecular dynamics simulations are performed to investigate the influence of material properties on the nanometric cutting of single crystal copper and aluminum with a diamond cutting tool. The atomic interactions in the two metallic materials are modeled by two sets of embedded atom method (EAM) potential parameters. Simulation results show that although the plastic deformation o...

We report on molecular-dynamics (MD) simulations of tensile loading of nano-crystalline Al modeled by an embedded-atom method (EAM) potential. Usage of two different sample preparation methods of the nano-crystalline material allows us to compare mechanical properties for different sample qualities. A Voronoi-constructed polycrystal exhibits nearly no pores and has different mechanical properti...

Using Embedded-atom-method (EAM) potential, we have performed in detail molecular dynamics studies on a Fe adatom adsorption and diffusion dynamics on three low miller index surfaces, Fe (110), Fe (001), and Fe (111). Our results present that adatom adsorption energies and diffusion barriers on these surfaces have similar monotonic trend: adsorption energies, Ea(110) < Ea(001) < Ea(111), diffus...

The temperature dependence of structural properties for infinitely long gold nanowires is studied. The molecular dynamics simulation method and the embedded-atom potential are used. The wires constructed at T = 0 K with a face-centered cubic structure and oriented along the (111), (110), and (100) directions are investigated. It was found that multiwalled structures form in all these nanowires....

We have investigated the structural characteristics of the experimentally observed phase transition of a silver nanowire into a tube under tensile strain. In the simulations, atoms are allowed to interact via a model potential extracted from the modified embedded atom method. Our calculations demonstrate that the formation of the hollow structure is governed by the nature of the applied strain...

Through multiscale simulations, we explore the influence of both smooth and atomically rough indenter tips on the nucleation of dislocations during nanoindentation of single-crystal aluminum. We model the long-range strain with finite element analysis using anisotropic linear elasticity. We then model a region near the indenter atomistically and perform molecular dynamics with an embedded atom ...

By using embedded-atom-method interatomic potentials and molecular-dynamics simulations, we study the collision of a single Ag7 cluster on the Pd~100! substrate, at impact energies in the direction perpendicular to the ~100! surface E1520 eV ~2.86 eV/atom! and E2595 eV ~13.6 eV/atom!. Our results indicate that implantation occurs at both impact energies, but it is more important at E2 . As oppo...

The Crystal-GRID method is used to study interatomic collisions at low energy in metals and such to probe the repulsive interatomic potential. Line shapes of gamma rays, emitted by the recoiling (59)Ni isotope after thermal neutron capture in Ni single crystals, were measured and compared to results obtained by molecular dynamics simulations of the slowing down. The same procedure is also used ...