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Journal Article (14)
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1.Journal ArticleModeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 8 (4), 280 (2018)
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2.Journal ArticleMechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B 92 (17), 174115 (2015)
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3.Journal ArticleAb initio study of compositional trends in solid solution strengthening in metals with low Peierls stresses. Acta Materialia 98, 12303, pp. 367 - 376 (2015)
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4.Journal ArticleComputationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation. Acta Materialia 85, pp. 53 - 66 (2015)
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5.Journal ArticleRole of the mesoscale in migration kinetics of flat grain boundaries. Physical Review B 89 (21), 214110 (2014)
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6.Journal ArticleInfluence of the dislocation core on the glide of the ½<111>{110} edge dislocation in bcc-iron: An embedded atom method study. Computational Materials Science 87, pp. 274 - 282 (2014)
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7.Journal ArticleAb initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys. New Journal of Physics 15 (4), pp. 043020-1 - 043020-19 (2013)
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8.Journal ArticleThermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite. Acta Materialia 61 (5), pp. 1773 - 1784 (2013)
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9.Journal ArticleAb initio identified design principles of solid-solution strengthening in Al. Science and Technology of Advanced Materials 14 (2), 025001 (2013)
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10.Journal ArticleHydrogen-enhanced plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides. Acta Materialia 59, pp. 2969 - 2980 (2011)
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11.Journal ArticleDetermining the elasticity of materials employing quantum mechanical approaches: From the electronic ground state to the limits of materials stability. Steel Research International 82 (2), pp. 86 - 100 (2011)
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12.Journal ArticleOrientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B 83 (18), pp. 184112-1 - 184112-11 (2011)
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13.Journal ArticleGeneration and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al–Ti. Physical Review B 81 (9), pp. 094203-1 - 094203-7 (2010)
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14.Journal ArticleInterplay between long-range elastic and short-range chemical interactions in Fe–C martensite formation. Physical Review B 79 (22), pp. 224112-1 - 224112-5 (2009)
Conference Paper (1)
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15.Conference PaperIdentification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, September 28, 2011. (2011)
Talk (61)
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16.TalkAtomistic study of dislocation mobility and obstacle hardening in bcc-Fe: versatility of embedded atom method potentials. MMM2014, 7th International Conference on Multiscale Materials Modeling , Berkeley, CA, USA (2014)
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17.TalkRecent development of modelling techniques in nano- and meso-scale simulations of dislocation dynamics. Workshop on Integrated Computational Materials Engineering (ICME), Rolduc Abbey, The Netherlands (2014)
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18.TalkCombined theoretical and experimental studies of ductile Mg alloys. International Symposium on Atomistic Modeling for Mechanics, Tokyo, Japan (2013)
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19.TalkCombined theoretical and experimental studies of ductile Mg alloys. Seminar lecture at the Technical University Bergakademie Freiberg, Freiberg, Germany (2013)
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20.TalkFirst-principles calculations of the key atomistic parameters related to hydrogen embrittlement in FeMn. DPG Frühjahrstagung 2013, Regensburg, Germany (2013)