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Journal Article (8)

1.
Journal Article
Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio explanation of disorder and off-stoichiometry in Fe–Mn–Al–C κ carbides. Physical Review B 95, 104108 (2017)
2.
Journal Article
Nazarov, R.; Majevadia, J. S.; Patel, M.; Wenman, M. R.; Balint, D. S.; Neugebauer, J.; Sutton, A. P.: First-principles calculation of the elastic dipole tensor of a point defect: Application to hydrogen in α -zirconium. Physical Review B 94 (24), 241112 (2016)
3.
Journal Article
Di Stefano, D.; Nazarov, R.; Hickel, T.; Neugebauer, J.; Mrovec, M.; Elsässer, C.: First-principles investigation of hydrogen interaction with TiC precipitates in alpha-Fe. Physical Review B 93 (18), 184108 (2016)
4.
Journal Article
Pei, Z.; Friák, M.; Sandlöbes, S.; Nazarov, R.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials. New Journal of Physics 17 (9), 093009 (2015)
5.
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)
6.
Journal Article
Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab initio study of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies. Physical Review B 89 (14), 144108 (2014)
7.
Journal Article
Nazarov, R.; Hickel, T.; Neugebauer, J.: Vacancy formation energies in fcc metals: Influence of exchange-correlation functionals and correction schemes. Physical Review B 85 (14), 144118 (2012)
8.
Journal Article
Nazarov, R.; Hickel, T.; Neugebauer, J.: First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron. Physical Review B 82 (22), pp. 224104-1 - 224104-11 (2010)

Conference Paper (1)

9.
Conference Paper
Hickel, T.; Nazarov, R.; von Pezold, J.; Friák, M.; Neugebauer, J.; Ismer, L.: Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, September 28, 2011. (2011)

Talk (41)

10.
Talk
Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: An ab-initio prediction of the off-stoichiometry of Fe–Mn–Al–C κ carbides. CALPHAD XLV, Awaji Island, Hyogo, Japan (2016)
11.
Talk
Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Origin of the off-stoichiometry of Fe–Mn–Al–C κ carbides: An ab-initio explanation of atom probe tomography data. DPG 2016, Regensburg, Germany (2016)
12.
Talk
Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio explanation of off-stoichiometry in Fe–Mn–Al–C κ carbides. Intermetallics 2015, Bad Staffelstein, Germany (2015)
13.
Talk
Dey, P.; Nazarov, R.; Friák, M.; Yao, M.; Hickel, T.; Neugebauer, J.: Adaptive C content in coherently strained kappa-carbides - An ab-initio explanation of atom probe tomography data. TMS 2015, Orlando, FL, USA (2015)
14.
Talk
Dey, P.; Nazarov, R.; Yao, M.; Friák, M.; Hickel, T.; Neugebauer, J.: Adaptive C content in coherently strained kappa-carbides - An ab initio explanation of atom probe tomography data. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
15.
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)
16.
Talk
Hickel, T.; Glensk, A.; Nazarov, R.; Sözen, H. I.; Grabowski, B.; Neugebauer, J.: Ab initio determination of point defects and derived diffusion properties in metals. International conference on diffusion in materials, DIMAT2014, Münster, Germany (2014)
17.
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)
18.
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)
19.
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)
20.
Talk
Dey, P.; Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio study of hydrogen trapping by kappa-carbides in an austenitic Fe matrix. DPG Frühjahrstagung, Dresden, Germany (2014)
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