119 citations · 119 across the 1 of their papers we have counts for
4 papers
Relaxation volumes of microscopic and mesoscopic irradiation-induced defects in tungsten
Daniel R Mason, Duc Nguyen-Manh, Mihai-Cosmin Marinica +2
The low energy structures of irradiation-induced defects have been studied in detail, as these determine the available modes by which a defect can diffuse or relax. As a result, th…
Smart energy models for atomistic simulations using a DFT-driven multifidelity approach
Luca Messina, Alessio Quaglino, Alexandra Goryaeva +5
The reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of mi…
Some improvements of the ART method for finding transition pathways on potential energy surfaces
E. Cancès, F. Legoll, M. -C. Marinica +2
The Activation-Relaxation Technique nouveau (ARTn) is an eigenvector following method for systematic search of saddle points and transition pathways on a given potential energy sur…
Diffusion rates of Cu adatoms on Cu(111) in the presence of an adisland nucleated at FCC or HCP sites
Mihai-Cosmin Marinica, Cyrille Barreteau, Daniel Spanjaard +1
The surface diffusion of Cu adatoms in the presence of an adisland at FCC or HCP sites on Cu(111) is studied using the EAM potential derived by Mishin {\it et al.} [Phys. Rev. B {\…