28 citations · 82 across the 7 of their papers we have counts for
7 papers
Atomistic Investigation of Elementary Dislocation Properties Influencing Mechanical Behaviour of alloy and alloy
Ayobami Daramola, Anna Fraczkiewicz, Giovanni Bonny +4
In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{…
Development of a Plasticity-oriented Interatomic Potential for CrFeMnNi High Entropy Alloys
Ayobami Daramola, Giovanni Bonny, Gilles Adjanor +3
An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed po…
Mass transport computations via correlation splitting and a law of total diffusion
Manuel Athènes, Gilles Adjanor, Jérôme Creuze
Directly computing mass transport coefficients in stochastic models requires integrating over time the equilibrium correlations between atomic displacements. Here, we show how to a…
Complete characterization of sink-strengths for 1D to 3D mobilities of defect clusters: Bridging between limiting cases with effective sink-strengths calculations
Gilles Adjanor
In a companion paper, we proposed new analytical expressions of cluster sink-strengths (CSS) indispensable to any complete parameterization of rate equations cluster dynamics accou…
Complete characterization of sink-strengths for mutually 1D-mobile defect clusters: Extension to diffusion anisotropy analog cases
Gilles Adjanor
Simulating more than seconds of microstructure evolution in systems involving almost athermally or very fast diffusing species such as self-interstitial atom (SIA) clusters current…
Cluster dynamics modelling of materials: a new hybrid deterministic/stochastic coupling approach
Pierre Terrier, Manuel Athènes, Thomas Jourdan +2
Deterministic simulations of the rate equations governing cluster dynamics in materials are limited by the number of equations to integrate. Stochastic simulations are limited by t…
Waste-recycling Monte Carlo with optimal estimates: application to free energy calculations in alloys
Gilles Adjanor, Manuel Athènes, Jocelyn M. Rodgers
The estimator proposed recently by Delmas and Jourdain for waste-recycling Monte Carlo achieves variance reduction optimally with respect to a control variate that is evaluated dir…