Force matching is an established technique to generate effective potentials for molecular
dynamics simulations from first-principles data. This method has been implemented in the …

Surface modification of structural and functional materials under bombardment by energetic
ions is observed under different conditions and can be either an unavoidable effect of the …

We have developed a kinetic model for residual stress generation in thin films grown from
energetic vapor fluxes, encountered, eg, during sputter deposition. The new analytical …

Reliable and accurate knowledge of the physical properties of elementary point defects is
crucial for predictive modeling of the evolution of radiation damage in materials employed in …

A new interatomic potential for a uranium–molybdenum system with xenon is developed in
the framework of an embedded atom model using a force-matching technique and a dataset …

Using the force-matching method we develop an interatomic potential that allows us to study
the structure and properties of α-U, γ-U and liquid uranium. The potential is fitted to the …

We studied structure and thermodynamic properties of cubic and tetragonal phases of pure
uranium and U-Mo alloys using atomistic simulations: molecular dynamics and density …

Based on molecular dynamics simulations, we discuss dynamics of nonlinear localized
excitations in two-dimensional crystal with Morse interatomic interactions and without on-site …

Transmission electron microscopy (TEM) in situ ion implantation is a convenient way to
study radiation damage, but it is biased by the proximity of the free surfaces of the electron …

The mobility of dislocations in the over-barrier motion in different metals (Al, Cu, Fe, Mo) has
been investigated using the molecular dynamics method. The phonon drag coefficients have …