78 citations · 82 across the 5 of their papers we have counts for
6 papers
Reverse Hall-Petch effect in ultra nanocrystalline diamond
Ioannis N. Remediakis, Georgios Kopidakis, Pantelis C. Kelires
We present atomistic simulations for the mechanical response of ultra nanocrystalline diamond, a polycrystalline form of diamond with grain diameters of the order of a few nm. We c…
Softening of ultra-nanocrystalline diamond at low grain sizes
Ioannis N. Remediakis, Georgios Kopidakis, Pantelis C. Kelires
Ultra-nanocrystalline diamond is a polycrystalline material, having crystalline diamond grains of sizes in the nanometer regime. We study the structure and mechanical properties of…
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…
Dinitrosyl formation as an intermediate stage of the reduction of NO in the presence of MoO_3
I. N. Remediakis, E. Kaxiras, M. Chen +1
We present first-principles calculations in the framework of density-functional theory and the pseudopotential approach, aiming to model the intermediate stages of the reduction of…