78 citations · 122 across the 8 of their papers we have counts for
5 papers · 1 filter
Structure, elastic properties and strength of amorphous and nanocomposite carbon
Ioannis N. Remediakis, Maria G. Fyta, Christos Mathioudakis +2
We study theoretically the equilibrium structure, as well as the response under external load, of characteristic carbon-based materials. The materials considered include diamond, a…
Probing the Structure and Energetics of Dislocation Cores in SiGe Alloys through Monte Carlo Simulations
Ioannis N. Remediakis, David E. Jesson, Pantelis C. Kelires
We present a methodology for the investigation of dislocation energetics in segregated alloys based on Monte Carlo simulations which equilibrate the topology and composition of the…
Insights into the fracture mechanisms and strength of amorphous and nanocomposite carbon
Maria G. Fyta, Ioannis N. Remediakis, Pantelis C. Kelires +1
Tight-binding molecular dynamics simulations shed light into the fracture mechanisms and the ideal strength of tetrahedral amorphous carbon and of nanocomposite carbon containing d…
Computer Simulations of Carbon Nanostructures under Pressure
Maria G. Fyta, Pantelis C. Kelires
Several interesting phenomena are observed when materials are put under pressure. The goal is to achieve modification and control over their mechanical and electronic (conduction)…
Energetics and stability of nanostructured amorphous carbon
Maria G. Fyta, Pantelis C. Kelires
Monte Carlo simulations, supplemented by ab initio calculations, shed light into the energetics and thermodynamic stability of nanostructured amorphous carbon. The interaction of t…