It is an established paradigm in the emerging fields of nanoscience, nanotechnology and
molecular engineering that a very important domain of fundamental research is associated …

Molecular dynamics with reactive interatomic potentials is the only computationally feasible
approach for modeling at the atomistic level the formation of carbon nanoparticles from gas …

We have discovered Raman peculiarities of sp 3-bonded carbon nanoclusters forming
ultrahard fullerite synthesized at pressure up to 85 GPa. The nanoclusters differ in the values …

The paper examines the compressibility of media with nano-inhomogeneities using the
example of an aluminum melt and C60 fullerenes immersed in it. The results of molecular …

Carbon's ability to form diverse structures with varying hybridizations motivates the search
for novel materials surpassing diamond's exceptional mechanical rigidity. We analyze …

We observed the effect of high (up to 80 GPa) pressure, catalyst (CS 2) and laser irradiation
on the process of three-dimensional (3D) polymerization of fullerene C 60 and the …

For the first time, dedicated stretching bond force constant (kr), and bulk modulus (BB) of
small boron nitride fullerenes (BNFLs) or BxNx cages (x= 12, 16, 20, 24, and 36) are …

We propose a model of interaction between aluminum and carbon atoms at the Al/C60
interface. The binding energy and the fullerene position of the Al (111) substrate are …

To compare the stretching bond force constants kr of boron nitride nanotubes (BNNTs) and
carbon nanotubes (CNTs) in armchair structures, using density functional theory (DFT), kr …

Investigation of elastic properties of nanosized diamond films reveals, that their elastic
properties in the range±5% significantly depend on the reconstructions of their surfaces …