A set of modified embedded-atom method (MEAM) potentials for the interactions between Al,
Si, Mg, Cu, and Fe was developed from a combination of each element's MEAM potential in …

Emphasising essential methods and universal principles, this textbook provides everything
students need to understand the basics of simulating materials behaviour. All the key topics …

Discrete dislocation dynamics is a numerical tool developed to model the plasticity of
crystalline materials at an intermediate length scale, between the atomistic modeling and the …

In this study, we developed interatomic potentials for the Fe-Al, Fe-Cu, Fe-Nb, Fe-W, and Co-
Nb binary systems using the second nearest-neighbor modified embedded-atom method …

This atomistic simulation study delves into the impact of V, Nb, Mo, and W on the mechanical
properties of equiatomic FeCo, employing the modified embedded atom method (MEAM) …

We developed a modified embedded atom method (MEAM) potential for Fe-Cr-Si ternary
systems. These alloys have superior corrosion and crack resistance, making them candidate …

Interatomic potentials for the Fe-Co and Fe-V binary systems have been developed based
on an Fe interatomic potential with enhanced mechanical capabilities and merged to …

Ferritic-martensitic steels, such as T91, are candidate materials for high-temperature
applications, including superheaters, heat exchangers, and advanced nuclear reactors …

We present a second nearest-neighbor interatomic potential improved with the mechanical
properties of the bulk B2 and B19'phases in shape-memory NiTi alloys. The potential …

A semi-empirical potential in line with the second nearest-neighbor modified embedded-
atom method (2NN MEAM) formalism has been improved for the Fe–Co interactions …