Comparison of empirical interatomic potentials for iron applied to radiation damage studies L Malerba, MC Marinica, N Anento, C Björkas, H Nguyen, C Domain, ... Journal of Nuclear Materials 406 (1), 19-38, 2010 | 217 | 2010 |
Interatomic potentials for modelling radiation defects and dislocations in tungsten MC Marinica, L Ventelon, MR Gilbert, L Proville, SL Dudarev, J Marian, ... Journal of Physics: Condensed Matter 25 (39), 395502, 2013 | 191 | 2013 |
Quantum effect on thermally activated glide of dislocations L Proville, D Rodney, MC Marinica Nature materials 11 (10), 845-849, 2012 | 166 | 2012 |
Stability and mobility of self-interstitials and small interstitial clusters in α-iron: ab initio and empirical potential calculations F Willaime, CC Fu, MC Marinica, J Dalla Torre Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2005 | 143 | 2005 |
Point defect modeling in materials: Coupling ab initio and elasticity approaches C Varvenne, F Bruneval, MC Marinica, E Clouet Physical Review B 88 (13), 134102, 2013 | 136 | 2013 |
Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces E Cances, F Legoll, MC Marinica, K Minoukadeh, F Willaime The Journal of chemical physics 130 (11), 114711, 2009 | 104 | 2009 |
Irradiation-Induced Formation of Nanocrystallites with Laves Phase Structure in bcc Iron MC Marinica, F Willaime, JP Crocombette Physical review letters 108 (2), 025501, 2012 | 101 | 2012 |
Self-trapped interstitial-type defects in iron DA Terentyev, TPC Klaver, P Olsson, MC Marinica, F Willaime, C Domain, ... Physical review letters 100 (14), 145503, 2008 | 97 | 2008 |
Energy landscape of small clusters of self-interstitial dumbbells in iron MC Marinica, F Willaime, N Mousseau Physical Review B 83 (9), 094119, 2011 | 74 | 2011 |
Influence of short-range adatom-adatom interactions on the surface diffusion of Cu on Cu (111) MC Marinica, C Barreteau, MC Desjonquères, D Spanjaard Physical Review B 70 (7), 075415, 2004 | 71 | 2004 |
The activation-relaxation technique: Art nouveau and kinetic art N Mousseau, LK Béland, P Brommer, JF Joly, F El-Mellouhi, ... Journal of Atomic and Molecular Physics 2012, 2012 | 70 | 2012 |
Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project L Malerba, GJ Ackland, CS Becquart, G Bonny, C Domain, SL Dudarev, ... Journal of nuclear materials 406 (1), 7-18, 2010 | 68 | 2010 |
Non-random walk diffusion enhances the sink strength of semicoherent interfaces A Vattré, T Jourdan, H Ding, MC Marinica, MJ Demkowicz Nature communications 7 (1), 1-10, 2016 | 66 | 2016 |
Theory and simulation of the diffusion of kinks on dislocations in bcc metals TD Swinburne, SL Dudarev, SP Fitzgerald, MR Gilbert, AP Sutton Physical Review B 87 (6), 064108, 2013 | 65 | 2013 |
Diffusion rates of Cu adatoms on Cu (111) in the presence of an adisland nucleated at fcc or hcp sites MC Marinica, C Barreteau, D Spanjaard, MC Desjonquères Physical Review B 72 (11), 115402, 2005 | 50 | 2005 |
Ab initio scaling laws for the formation energy of nanosized interstitial defect clusters in iron, tungsten, and vanadium R Alexander, MC Marinica, L Proville, F Willaime, K Arakawa, MR Gilbert, ... Physical Review B 94 (2), 024103, 2016 | 47 | 2016 |
Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W D Cereceda, A Stukowski, MR Gilbert, S Queyreau, L Ventelon, ... Journal of Physics: Condensed Matter 25 (8), 085702, 2013 | 37 | 2013 |
Orientation of interstitials in clusters in α-Fe: a comparison between empirical potentials MC Marinica, F Willaime Solid State Phenomena 129, 67-74, 2007 | 29 | 2007 |
Effect of saddle point anisotropy of point defects on their absorption by dislocations and cavities D Carpentier, T Jourdan, Y Le Bouar, MC Marinica Acta Materialia 136, 323-334, 2017 | 27 | 2017 |
Free energy reconstruction from steered dynamics without post-processing M Athènes, MC Marinica Journal of Computational Physics 229 (19), 7129-7146, 2010 | 24 | 2010 |