Matous Mrovec

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Christian ElsässerFraunhofer IWMAdresse e-mail validée de iwm.fraunhofer.de
Ralf DrautzProfessor for Atomistic Modelling and Simulation, ICAMS, Ruhr-Universität BochumAdresse e-mail validée de rub.de
Yury LysogorskiyICAMS, Ruhr University BochumAdresse e-mail validée de rub.de
Thomas HammerschmidtLecturer, ICAMS, Ruhr University Bochum, GermanyAdresse e-mail validée de rub.de
Davide Di StefanoAnsysAdresse e-mail validée de ansys.com
Anton BochkarevRUBAdresse e-mail validée de rub.de
Benedikt ZiebarthSchott AGAdresse e-mail validée de schott.com
Sergei StarikovICAMS, Ruhr-Universität BochumAdresse e-mail validée de icams.ruhr-uni-bochum.de
Daria SmirnovaMax-Planck-Institut für Eisenforschung GmbHAdresse e-mail validée de mpie.de
Roman GrögerInstitute of Physics of Materials, Czech Academy of SciencesAdresse e-mail validée de ipm.cz
Matteo RinaldiFritz-Haber-Institut der Max-Planck-GesellschaftAdresse e-mail validée de fhi-berlin.mpg.de
Davide G. SangiovanniAssociate Professor, Linköpings Universitet (Sweden), Ruhr-Universität Bochum (Germany)Adresse e-mail validée de liu.se
Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungAdresse e-mail validée de mpie.de
Sarath MenonMax-Planck-Institut für EisenforschungAdresse e-mail validée de mpie.de
Moseler MichaelProfessor for Physics, University of Freiburg, Leader of Business Unit Tribology at Fraunhofer IWMAdresse e-mail validée de iwm.fhg.de
John Bassaniprofessor of mechanical engineering, university of pennsylvaniaAdresse e-mail validée de seas.upenn.edu
Peter DerletCondensed Matter Theory, Paul Scherrer InstituteAdresse e-mail validée de psi.ch
Tilmann HickelMax-Planck-Institut für EisenforschungAdresse e-mail validée de mpie.de
Yi-Shen Lin (Ethan), Ph.D.University of PennsylvaniaAdresse e-mail validée de seas.upenn.edu
Marc FivelDirecteur de Recherche CNRS, SIMaP, Grenoble INPAdresse e-mail validée de grenoble-inp.fr

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Matous Mrovec

Research group leader, ICAMS, Ruhr-Universität Bochum

Adresse e-mail validée de icams.rub.de - Page d'accueil

computational materials science atomistic simulations crystal defects hydrogen embrittlement machine learning


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel D Di Stefano, M Mrovec, C Elsässer Acta Materialia 98, 306-312, 2015	159	2015
Bond-order potential for simulations of extended defects in tungsten M Mrovec, R Gröger, AG Bailey, D Nguyen-Manh, C Elsässer, V Vitek Physical Review B 75 (10), 104119, 2007	154	2007
Bond-order potential for molybdenum: Application to dislocation behavior M Mrovec, D Nguyen-Manh, DG Pettifor, V Vitek Physical Review B 69 (9), 094115, 2004	153	2004
Influence of non-glide stresses on plastic flow: from atomistic to continuum modeling V Vitek, M Mrovec, JL Bassani Materials Science and Engineering: A 365 (1-2), 31-37, 2004	147	2004
First-principles investigation of hydrogen interaction with TiC precipitates in α-Fe D Di Stefano, R Nazarov, T Hickel, J Neugebauer, M Mrovec, C Elsässer Physical Review B 93 (18), 184108, 2016	136	2016
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon Y Lysogorskiy, C Oord, A Bochkarev, S Menon, M Rinaldi, ... npj computational materials 7 (1), 97, 2021	114	2021
Magnetic bond-order potential for iron M Mrovec, D Nguyen-Manh, C Elsässer, P Gumbsch Physical review letters 106 (24), 246402, 2011	113	2011
Structure, stability, and electronic properties of Sr Ti O 3∕ La Al O 3 and Sr Ti O 3∕ Sr Ru O 3 interfaces JM Albina, M Mrovec, B Meyer, C Elsässer Physical Review B 76 (16), 165103, 2007	107	2007
The EU programme for modelling radiation effects in fusion reactor materials: An overview of recent advances and future goals SL Dudarev, JL Boutard, R Lässer, MJ Caturla, PM Derlet, M Fivel, CC Fu, ... Journal of Nuclear Materials 386, 1-7, 2009	102	2009
Schottky barriers at transition-metal/ interfaces M Mrovec, JM Albina, B Meyer, C Elsässer Physical Review B 79 (24), 245121, 2009	92	2009
Atomistic simulations of interactions between the 1/2⟨ 111⟩ edge dislocation and symmetric tilt grain boundaries in tungsten Y Cheng, M Mrovec, P Gumbsch Philosophical Magazine 88 (4), 547-560, 2008	79	2008
Effects of non-glide stresses on the plastic flow of single and polycrystals of molybdenum V Vitek, M Mrovec, R Gröger, JL Bassani, V Racherla, L Yin Materials Science and Engineering: A 387, 138-142, 2004	65	2004
Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon B Ziebarth, M Mrovec, C Elsässer, P Gumbsch Journal of applied physics 116 (9), 2014	64	2014
Hydrogen diffusion and trapping in Ti-modified advanced high strength steels N Winzer, O Rott, R Thiessen, I Thomas, K Mraczek, T Höche, L Wright, ... Materials & Design 92, 450-461, 2016	62	2016
First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel D Di Stefano, M Mrovec, C Elsässer Physical Review B 92 (22), 224301, 2015	60	2015
Bond order potentials for fracture, wear, and plasticity L Pastewka, M Mrovec, M Moseler, P Gumbsch MRS bulletin 37 (5), 493-503, 2012	60	2012
Parameterization of tight-binding models from density functional theory calculations A Urban, M Reese, M Mrovec, C Elsässer, B Meyer Physical Review B 84 (15), 155119, 2011	52	2011
Ionic Conductivity and Its Dependence on Structural Disorder in Halogenated Argyrodites Li₆PS₅X (X = Br, Cl, I) AR Stamminger, B Ziebarth, M Mrovec, T Hammerschmidt, R Drautz Chemistry of Materials 31 (21), 8673-8678, 2019	49	2019
Efficient parametrization of the atomic cluster expansion A Bochkarev, Y Lysogorskiy, S Menon, M Qamar, M Mrovec, R Drautz Physical Review Materials 6 (1), 013804, 2022	46	2022
Interstitial iron impurities at grain boundaries in silicon: A first-principles study B Ziebarth, M Mrovec, C Elsässer, P Gumbsch Physical Review B 91 (3), 035309, 2015	46	2015

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