Artificial intelligence (AI) has been referred to as the “fourth paradigm of science,” and as
part of a coherent toolbox of data‐driven approaches, machine learning (ML) dramatically …

Silver-ceramic nanocomposite coatings, such as TiN: Ag, are among the most interesting
solutions to improve the machining and cutting process of hard-to-cut Ti alloys, since they …

The use of self-lubricating titanium nitride and silver (TiN (Ag)) nanocomposite coatings is a
promising way to reduce the wear of tools employed dry machining operations for hard-to …

The diffusion behaviour of the Ti–Ag system was investigated using classical molecular
dynamics by simulating a diffusion couple at various temperatures. One bulk of the diffusion …

The atomistic processes that form the basis of thin film growth often involve complex multi-
atom movements of atoms or groups of atoms on or close to the surface of a substrate …

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 …

Understanding the thermal properties of materials is essential to using those materials for
technological advancement which can benefit civilization. For example, it has been …

This thesis examines various atomistic mechanisms associated with the production of
cadmium telluride (CdTe) thin film solar cells and gives a fundamental understanding of …