Thermal Expansion and Thermal Conductivity of Ni/Graphene Composite: Molecular Dynamics Simulation.

In the present work, the thermal conductivity and thermal expansion coefficients of a new morphology of Ni/graphene composites are studied by molecular dynamics. The matrix of the considered composite is crumpled graphene, which is composed of crumpled graphene flakes of 2-4 nm size connected by van der Waals force. Pores of the crumpled graphene matrix were filled with small Ni nanoparticles.

Effect of Nanoparticle Size on the Mechanical Strength of Ni-Graphene Composites.

The effect of the size of nickel nanoparticles on the fabrication of a Ni-graphene composite by hydrostatic pressure at 0 K followed by annealing at 1000 and 2000 K is studied by molecular dynamics simulation. Crumpled graphene, consisting of crumpled graphene flakes interconnected by van der Waals forces is chosen as the matrix for the composite and filled with nickel nanoparticles composed of 21 and 47 atoms. It is found that the main factors that affect composite fabrication are nanoparticle size, the orientation of the structural units, and temperature of the fabrication process.

Crumpled Graphene-Storage Media for Hydrogen and Metal Nanoclusters.

Understanding the structural behavior of graphene flake, which is the structural unit of bulk crumpled graphene, is of high importance, especially when it is in contact with the other types of atoms. In the present work, crumpled graphene is considered as storage media for two types of nanoclusters-nickel and hydrogen. Crumpled graphene consists of crumpled graphene flakes bonded by weak van der Waals forces and can be considered an excellent container for different atoms.