Molecular dynamics (MD) simulation was employed to predict the thermal conductivity of
poly (dimethylsiloxane)(PDMS)/hexagonal boron (h-BN) composite. Two MD simulation …

Efficient manipulation of nanoparticles and single molecules has always been of great
interest and potential in nanotechnology. However, many challenges still remain in …

We present a study of the diffusion enhancement of underdamped Brownian particles in a
one-dimensional symmetric space-periodic potential due to external symmetric time-periodic …

In the present work, the mechanical properties, in particular, the Poisson's ratio of four two-
dimensional silica structures, called here α, β, γ, and δ are studied by means of molecular …

We study molecular mobility on a graphene nanoroad (GNRD), a pristine graphene strip
embedded in between two hydrogenated graphene domains serving as a nanoscale …

In this letter, nanodirectional motion due to intrinsic warping edge of graphene nanoribbon is
demonstrated using theoretical analysis and molecular dynamics (MD) simulation …

Due to the hollow cylindrical structure of CNTs, they are employed in the construction of
nanomachines. Different types of CNT-based nanomachines have been designed and …

Методом молекулярной динамики показано, что термофорез частиц (атомов) внутри
одностенных углеродных нанотрубок (УНТ) обладает высокой эффективностью …

Using the molecular dynamics method, the high efficiency of thermophoresis of particles
(atoms) inside single-walled carbon nanotubes (CNTs) is shown. The placement of a …