Publications of the Atomistic Modelling GroupThis list consists only of publications since the formation of the group "Atomistic Modelling of Material Interfaces". If you click on an author's name, you will be directed to the authors complete MPS publication list.

Publications of Poulumi Dey

Journal Article (5)

1.
Journal Article
Sreekala, L.; Dey, P.; Hickel, T.; Neugebauer, J.: Unveiling nonmonotonic chemical trends in the solubility of H in complex Fe–Cr–Mn carbides by means of ab initio based approaches. Physical Review Materials 6 (1), 014403 (2022)
2.
Journal Article
Liebscher, C.; Yao, M.; Dey, P.; Lipińska-Chwalek, M.; Lipińska-Chwalek, M.; Berkels, B.; Gault, B.; Hickel, T.; Herbig, M.; Mayer, J. et al.; Neugebauer, J.; Raabe, D.; Dehm, G.; Scheu, C.: Tetragonal fcc-Fe induced by κ-carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory. Physical Review Materials 2, 023804, pp. 1 - 6 (2018)
3.
Journal Article
Timmerscheidt, T. A.; Dey, P.; Bogdanovski, D.; von Appen, J.; Hickel, T.; Neugebauer, J.; Dronskowski, R.: The role of kappa carbides as hydrogen traps in high-Mn steels. Metals 7 (7), 264 (2017)
4.
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)
5.
Journal Article
Yao, M.; Dey, P.; Seol, J. B.; Choi, P.-P.; Herbig, M.; Marceau, R. K. W.; Hickel, T.; Neugebauer, J.; Raabe, D.: Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe–Mn–Al–C low density steel. Acta Materialia 106, pp. 229 - 238 (2016)

Talk (26)

6.
Talk
Hickel, T.; McEniry, E.; Nazarov, R.; Dey, P.: Ab initio basierte Simulation zur Wasserstoffversprödung in hoch-Mn Stählen. Seminar der Staatlichen Materialprüfungsanstalt Darmstadt, Institut für Werkstoffkunde, Darmstadt, Germany (2020)
7.
Talk
Hickel, T.; Dey, P.; McEniry, E.; Yao, M.; Herbig, M.; Lipińska-Chwałek, M.; Liebscher, C.; Mušić, D.; Hallstedt, B.; Haase, C. et al.; Song, W.; Scheu, C.; Ponge, D.; Raabe, D.; Neugebauer, J.: κ carbide microstructures and the role of interfaces in high-Mn lightweight steels. High-Mn Steel 2019, Aachen, Germany (2019)
8.
Talk
Dey, P.: Materials design based on ab initio methods: Coherent microstructure & its impact on real application. Seminar at TU Delft, Delft, The Netherlands (2018)
9.
Talk
Dey, P.: Understanding Hydrogen Embrittlement based on ab initio methods. Seminar at Linköping University, Linköping, Sweden (2018)
10.
Talk
Dey, P.; Yao, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab-initio investigation of the role of kappa carbide in upgrading Fe–Mn–Al–C alloy to the class of advanced high-strength steels. ArcelorMittal Global R&D Gent, Thessaloniki, Greece (2017)
11.
Talk
Dey, P.: Ab initio investigation of the interaction of hydrogen with carbides in advanced high-strength steels. Seminar at Southern University of Science and Technology, Shenzhen, China (2017)
12.
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)
13.
Talk
Dey, P.; Timmerscheidt, T. A.; von Appen, J.; Hickel, T.; Dronskowski, R.; Neugebauer, J.: Ab-initio investigation of the interaction of hydrogen with carbides in advanced high-strength steels. TMS 2017, San Diego, CA, USA (2017)
14.
Talk
Raabe, D.; Ponge, D.; Gault, B.; Herbig, M.; Liebscher, C.; Dey, P.; Dehm, G.; Welsch, E. D.; Yao, M.; Wong, S. L. et al.; Hickel, T.; Lipinska-Chwalek, M.; Neugebauer, J.; Prahl, U.; Madivala, M.; Scheu, C.; Bleck, W.: Ab-Initio Guided Design of Twinning Induced Plasticity and Weight Reduced Austenitic Steels. MRS Fall Meeting, Boston, MA, USA (2016)
15.
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)
16.
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)
17.
Talk
Yao, M.; Dey, P.; Welsch, E. D.; Choi, P.-P.; Herbig, M.; Gault, B.; Seol, J. B.; Marceau, R. K. W.: Atomistic understanding of structure and deformation of nano-sized kappa-carbide precipitates in light-weight steels. APT&M 2016, The 55th International Conference on Atom Probe Tomography & Microscopy, Gyeongju, South Korea (2016)
18.
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)
19.
Talk
Dey, P.: Ab initio understanding of interaction of kappa carbide with hydrogen in steels. Oak Ridge National Laboratory, Oak Ridge, TN, USA (2015)
20.
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)
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