Pressure-strain curves for Ni-graphene systems under hydrostatic tension at 0 K and
corresponding snapshots of composite at different strain. Ni atoms are shown by blue and C …

Although carbon materials, particularly graphene and carbon nanotubes, are widely used to
reinforce metal matrix composites, understanding the fabrication process and connection …

Graphene-metals composites are novel structures with improved properties intensively
studied in the last decades. In this work, the results of molecular dynamics simulation of the …

Dynamics of M× 1-crowdion clusters (M= 1, 2 or 3) and vacancy clusters is analyzed in 2D
triangular lattice with Morse interactions. Topological defects are created in the lattice by …

Interatomic interaction potentials are compared using a molecular dynamics modeling
method to choose the simplest, but most effective, model to describe the interaction of …

Atomically thin porous membranes display high selectivity for gas transport and separation.
To create such systems, defect engineering of two-dimensional (2D) materials, eg, via ion …

The present work examines the efficacy of metal-doped silicon (Si 59 X; X= Nb, Mo, Y, Zr)
nanocages as an efficient nanosensors for N-Nitrosodimethylamine (NDMA). A suitable …

In this study, some features of molecular dynamics simulation for evaluating the mechanical
properties of a Ni/graphene composite and analyzing the effect of incremental and dynamic …

The incorporation of metal nanoparticles into novel carbon structures, such as crumpled
graphene (CG), is a promising way to obtain a composite with better mechanical properties …

Ni nanoparticle on a graphene substrate, inside the fullerene and carbon nanotube was
studied by molecular dynamics simulation technique. Morse interatomic potential have been …