Order-disorder processes fundamentally determine the structure and properties of many
important oxide systems for energy and computing applications. While these processes …

Thin film deposition from the vapor phase is a complex process involving adatom
adsorption, movement, and incorporation into the growing film. Here, we present quantitative …

The initial stages of the growth of germanium on the dimer reconstructed Si (100) surface is
modelled using molecular dynamics (MD). Pyramidal island structures are observed to form …

Nanodiamonds (NDs) have potential uses in many applications, including as additives for
liquid lubricants where they may be combined with more traditional chemicals, such as …

In spite of the increasing interest in and application of ultrathin film oxides in commercial
devices, the understanding of the mechanisms that control the growth of these films at the …

The growth of Ag on ZnO was modeled using a reactive force field potential and a
combination of molecular dynamics and adaptive kinetic Monte Carlo (AKMC) simulations …

Molecular modeling enables a systematic approach in process development. The core of
molecular modeling is to provide a robust kinetic model, so that reliability in generic …

Simulations of thin film growth in the Ag–Ti system are presented using molecular dynamics
combined with an adaptive kinetic Monte Carlo method (AKMC) with a modified embedded …

Tribochemical reactions are reactions that happen at sliding interfaces due to applied
pressure, shear, and heat. These reactions are responsible for the formation of tribofilms on …

We studied epitaxial growth of Ge films on Si (001) 2*1 at different temperatures using
classical molecular dynamics simulations. Ge-Si intermixing contributes to strain …