Fracture is one of the most prominent concerns for large scale applications of graphene. In
this paper, we review some of the recent progresses in experimental and theoretical studies …

By varying the number of acetylenic linkages connecting aromatic rings, a new family of
atomically thin graph‐n‐yne materials can be designed and synthesized. Generating …

Continuous strides are made to realize molecular systems with exceptionally high nonlinear
optical response. Here, we report alkali metal exohedrally doped phosphide nanocages as …

In this article, using molecular dynamics (MD) simulation, several mechanical properties of
graphene were calculated for pristine single layer graphene sheet (SLGS), defective SLGS …

A green approach was utilized to synthesize crosslinked chitosan-based graphene oxide
(GO) nanocomposite membrane using tetraethyl orthosilicate (TEOS) as a crosslinking …

Graphene is a widely used nanoparticle in different industries, especially in nanocomposite
applications. Prediction of its properties is of great importance for engineers. Therefore, a …

Understanding the effect of defects on mechanical responses and failure behaviors of a
graphene membrane is important for its applications. As examples, in this paper, a family of …

By employing molecular dynamics simulations, a family of graphyne heterojunctions
(GYHJs) made by two different graphynes (GYs) have been designed and prepared. The …

In this study, the mechanical and processing properties of nanoimprinted nickel-cobalt-
chromium medium-entropy alloy (NiCoCr MEA) are investigated using molecular dynamics …

Molecular dynamics simulations were performed on graphene nano-ribbons (GNR) with
Stone-Wales defects to study their influence on the mechanical response of GNR under …