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Journal Article (5)
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1.Journal ArticleMultiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 8 (6), 430, pp. 1 - 16 (2018)
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2.Journal ArticleAb initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 150, pp. 53 - 58 (2018)
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3.Journal ArticleHydrogen behaviour at twist {110} grain boundaries in alpha-Fe. Philosophical Transactions: Mathematical, Physical and Engineering Sciences 375 (2098), 20160402 (2017)
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4.Journal ArticleImportance of coordination number and bond length in titanium revealed by electronic structure investigations. Physica Status Solidi B 252 (9), pp. 1907 - 1924 (2015)
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5.Journal ArticleAb initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. JOM 66 (8), pp. 1399 - 1405 (2014)
Conference Paper (1)
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6.Conference PaperAtomistic modelling of light-element co-segregation at structural defects in iron. 22nd European Conference on Fracture, ECF 2018, Belgrade, Serbia, August 25, 2018 - September 26, 2018. Procedia Structural Integrity 13, pp. 1099 - 1104 (2018)
Talk (6)
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7.TalkAb-initio study of the interplay of hydrogen and microstructure in Ni-based superalloys. DPG 2017, Dresden, Germany (2017)
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8.TalkAb initio insights into the interaction of hydrogen with precipitates in steels. Workshop on Hydrogen Embrittlement and Sour Gas Corrosion 2015, Düsseldorf, Germany (2015)
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9.TalkImpact of light elements on interface properties in steels. CECAM workshop “Modeling Metal Failure Across Multiple Scales”, Lausanne, Switzerland (2014)
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10.TalkAb initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. SteelyHydrogen 2014, International conference on hydrogen in steels, Ghent, Belgium (2014)
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11.TalkAb initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. TMS Annual Meeting 2014, San Diego, CA, USA (2014)
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12.TalkAb initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. Workshop on Hydrogen Embrittlement, Düsseldorf, Germany (2014)