Soon after the discovery of carbon nanotubes, it was realized that the theoretically predicted
mechanical properties of these interesting structures–including high strength, high stiffness …

A potential function is presented that can be used to model both chemical reactions and
intermolecular interactions in condensed-phase hydrocarbon systems such as liquids …

A second-generation potential energy function for solid carbon and hydrocarbon molecules
that is based on an empirical bond order formalism is presented. This potential allows for …

Recent research has led to a deeper understanding of the nature and consequences of
interactions of materials on an atomic scale. The results have resonated throughout the field …

Mechanical properties of carbon nanotubes: theoretical predictions and experimental
measurements À propos Notre revue Équipe éditoriale Les CR Physique en libre accès diamant …

Nanotechnology, science, and engineering spearhead the 21st century revolution that is
leading to fundamental breakthroughs in the way materials, devices, and systems are …

The goal of this chapter is to review statistical mechanical approaches to the molecular
origins of friction. A brief outline of macroscopic experimental results and the fundamental …

The friction of adjacent Ti n+ 1C n (n= 1, 2, and 3) MXene layers is investigated using
density functional theory (DFT) calculations and classical molecular dynamics simulations …

Examples of fascinating chemical reactions at solid surfaces abound in this issue of
Chemical Reviews. It is only natural that theorists want to understand these reactions in …

Diamond and diamondlike carbon (DLC) films exhibit a wide range of sometimes
contradictory tribological behavior. Experimentally, isolating the influences of factors such as …