Atomistic simulations such as molecular dynamics and Monte Carlo are widely used for
understanding the material's behavior at a more fundamental level, eg, at the atomic level …

For over a century, rolling contact fatigue in bearings has been recognised as a key feature
limiting bearing life. The phenomenon is manifested through dark etching regions, 30 and …

Phase transitions in nickel-titanium shape-memory alloys are investigated by means of
atomistic simulations. A second nearest-neighbor modified embedded-atom method …

Atomic-level modeling of materials provides fundamental insights into phase stability,
structure and properties of crystalline defects, and to physical mechanisms of many …

The Mössbauer spectroscopy of iron carbides (α-Fe, γ'-FeC, η-Fe2C, ζ-Fe2C, χ-Fe5C2, h-
Fe7C3, θ-Fe3C, o-Fe7C3, γ'-Fe4C, γ''-Fe4C, and α'-Fe16C2) is predicted utilizing the all …

Activating non-basal< c+a> slip is a key method to improve room temperature ductility and
formability of Mg alloys. However, the detailed criterion for activation of the< c+a> slip in …

Modified embedded-atom method (MEAM) interatomic potentials for the Ti–C and Ti–N
binary systems have been developed using previously developed MEAM potentials of Ti, C …

Parameters of Morse potentials for describing the interactions of atoms of light elements C,
N, O with atoms of fcc metals Al, Ag, Ni are found. This set of three metals is unique in that …

Structural, elastic, and thermal properties of cementite (Fe 3 C) were studied using a
modified embedded atom method (MEAM) potential for iron-carbon (Fe-C) alloys. Previously …

Interatomic potentials for pure Mg and the Mg–Al binary system have been developed based
on the modified embedded-atom method (MEAM) potential formalism. The potentials can …