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.

Discrete dislocation simulation of the ultrasonic relaxation of non-equilibrium grain boundaries in a deformed polycrystal.

For the first time, the relaxation of disordered dislocation arrays in a model 3 × 3 columnar polycrystal under ultrasonic action is studied using the discrete dislocation approach. All grains contain three non-parallel slip systems located at an angle of 60° to each other. The non-equilibrium state of the grain boundaries is modeled using two finite edge dislocation walls with Burgers vector of opposite signs, which are equivalent to a wedge junction disclination quadrupole.

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.

Drift of dislocation tripoles under ultrasound influence.

Numerical simulations of dynamics of different stable dislocation tripoles under influence of monochromatic standing sound wave were performed. The basic conditions necessary for the drift and mutual rearrangements between dislocation structures were investigated. The dependence of the drift velocity of the dislocation tripoles as a function of the frequency and amplitude of the external influence was obtained.