Matous Mrovec

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Christian ElsässerFraunhofer IWMVerifierad e-postadress på iwm.fraunhofer.de
Ralf DrautzProfessor for Atomistic Modelling and Simulation, ICAMS, Ruhr-Universität BochumVerifierad e-postadress på rub.de
Yury LysogorskiyICAMS, Ruhr University BochumVerifierad e-postadress på rub.de
Thomas HammerschmidtLecturer, ICAMS, Ruhr University Bochum, GermanyVerifierad e-postadress på rub.de
Anton BochkarevRUBVerifierad e-postadress på rub.de
Davide Di StefanoAnsysVerifierad e-postadress på ansys.com
Benedikt ZiebarthSchott AGVerifierad e-postadress på schott.com
Sergei StarikovICAMS, Ruhr-Universität BochumVerifierad e-postadress på icams.ruhr-uni-bochum.de
Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungVerifierad e-postadress på mpie.de
Sarath MenonMax Planck Institute for Sustainable MaterialsVerifierad e-postadress på mpie.de
Matteo RinaldiFritz-Haber-Institut der Max-Planck-GesellschaftVerifierad e-postadress på fhi-berlin.mpg.de
Daria SmirnovaMax-Planck-Institut für Eisenforschung GmbHVerifierad e-postadress på mpie.de
Roman GrögerInstitute of Physics of Materials, Czech Academy of SciencesVerifierad e-postadress på ipm.cz
Davide G. SangiovanniAssociate Professor, Linköpings Universitet (Sweden), Ruhr-Universität Bochum (Germany)Verifierad e-postadress på liu.se
Moseler MichaelProfessor for Physics, University of Freiburg, Leader of Business Unit Tribology at Fraunhofer IWMVerifierad e-postadress på iwm.fhg.de
John Bassaniprofessor of mechanical engineering, university of pennsylvaniaVerifierad e-postadress på seas.upenn.edu
Tilmann HickelBAM Federal Institute for Materials Research and TestingVerifierad e-postadress på mpie.de
Yi-Shen Lin (Ethan), Ph.D.University of PennsylvaniaVerifierad e-postadress på seas.upenn.edu
Tony PaxtonImperial College LondonVerifierad e-postadress på KCL.ac.uk
Roman Nazarov, R. NazarovLawrence Livermore National LaboratoryVerifierad e-postadress på mpie.de

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Matous Mrovec

Research group leader, ICAMS, Ruhr-Universität Bochum

Verifierad e-postadress på icams.rub.de - Startsida

computational materials science atomistic simulations crystal defects hydrogen embrittlement machine learning


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	178	2021
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	177	2015
First-principles investigation of hydrogen interaction with TiC precipitates in -Fe D Di Stefano, R Nazarov, T Hickel, J Neugebauer, M Mrovec, C Elsässer Physical Review B 93 (18), 184108, 2016	167	2016
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	160	2004
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	157	2004
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—Condensed Matter and Materials Physics 75 (10), 104119, 2007	156	2007
Magnetic bond-order potential for iron M Mrovec, D Nguyen-Manh, C Elsässer, P Gumbsch Physical review letters 106 (24), 246402, 2011	122	2011
Structure, stability, and electronic properties of and interfaces JM Albina, M Mrovec, B Meyer, C Elsässer Physical Review B—Condensed Matter and Materials Physics 76 (16), 165103, 2007	108	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	104	2009
Schottky barriers at transition-metal/ interfaces M Mrovec, JM Albina, B Meyer, C Elsässer Physical Review B—Condensed Matter and Materials Physics 79 (24), 245121, 2009	96	2009
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	86	2022
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	81	2008
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	73	2019
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	70	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	67	2015
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	67	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	65	2014
Bond order potentials for fracture, wear, and plasticity L Pastewka, M Mrovec, M Moseler, P Gumbsch MRS bulletin 37 (5), 493-503, 2012	63	2012
Density functional theory calculations of iron-vanadium carbide interfaces and the effect of hydrogen SE Restrepo, D Di Stefano, M Mrovec, AT Paxton International Journal of Hydrogen Energy 45 (3), 2382-2389, 2020	56	2020
Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models S Starikov, D Smirnova, T Pradhan, Y Lysogorskiy, H Chapman, ... Physical Review Materials 5 (6), 063607, 2021	53	2021

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