Search results

Journal Article (5)

1. 1.
   MPG.PuRe

   DOI

   supplementary-material
   Journal Article

   Hüter, C.; Shanthraj, P.; McEniry, E.; Spatschek, R. P.; Hickel, T.; Tehranchi, A.; Guo, X.; Roters, F.: Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 8 (6), 430, pp. 1 - 16 (2018)
2. 2.
   MPG.PuRe

   DOI
   Journal Article

   Hickel, T.; Neugebauer, J.; McEniry, E.: Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 150, pp. 53 - 58 (2018)
3. 3.
   MPG.PuRe

   DOI
   Journal Article

   McEniry, E.; Hickel, T.; Neugebauer, J.: Hydrogen behaviour at twist {110} grain boundaries in alpha-Fe. Philosophical Transactions: Mathematical, Physical and Engineering Sciences 375 (2098), 20160402 (2017)
4. 4.
   MPG.PuRe

   DOI
   Journal Article

   Huang, L.; Grabowski, B.; McEniry, E.; Trinkle, D. R.; Neugebauer, J.: Importance of coordination number and bond length in titanium revealed by electronic structure investigations. Physica Status Solidi B 252 (9), pp. 1907 - 1924 (2015)
5. 5.
   MPG.PuRe

   DOI
   Journal Article

   Hickel, T.; Nazarov, R.; McEniry, E.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. JOM 66 (8), pp. 1399 - 1405 (2014)

Conference Paper (1)

1. 6.
   MPG.PuRe

   DOI
   Conference Paper

   McEniry, E.; Hickel, T.; Neugebauer, J.: Atomistic 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)

1. 7.
   MPG.PuRe
   Talk

   Dey, P.; Tarzimoghadam, Z.; Ponge, D.; McEniry, E.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab-initio study of the interplay of hydrogen and microstructure in Ni-based superalloys. DPG 2017, Dresden, Germany (2017)
2. 8.
   MPG.PuRe
   Talk

   Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Ab initio insights into the interaction of hydrogen with precipitates in steels. Workshop on Hydrogen Embrittlement and Sour Gas Corrosion 2015, Düsseldorf, Germany (2015)
3. 9.
   MPG.PuRe
   Talk

   Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Impact of light elements on interface properties in steels. CECAM workshop “Modeling Metal Failure Across Multiple Scales”, Lausanne, Switzerland (2014)
4. 10.
   MPG.PuRe
   Talk

   Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. SteelyHydrogen 2014, International conference on hydrogen in steels, Ghent, Belgium (2014)
5. 11.
   MPG.PuRe
   Talk

   Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Spatschek, R. P.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. TMS Annual Meeting 2014, San Diego, CA, USA (2014)
6. 12.
   MPG.PuRe
   Talk

   Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. Workshop on Hydrogen Embrittlement, Düsseldorf, Germany (2014)