Adhesion and friction behaviors of a γ-Fe/diamond heterogeneous contact interface: a density functional theory study

Abstract

Diamond tools played an important role in precision machining. However, the adhesive wear restricts its application when Fe-base workpiece was cut by diamond tools. It is significant to explain the...

Impart of Heterogeneous Charge Polarization and Distribution on Friction at Water-Graphene Interfaces: a Density-Functional-Theory based Machine Learning Study

“…Density functional theory (DFT) based first-principles calculations have been extensively utilized as a main research approach in previous theoretical studies on interactions and friction at water–solid interfaces, − owing to their high accuracy in predicting charge density and distribution. The dynamic nature of water molecules on solid surfaces, particularly during flow, results in temporal variations in their positions and solid surface charges.…”