Selected Publications and Talks

Computational Materials Design (CM)

Publications

1.
Christoph Freysoldt and Jörg Neugebauer, "First-principles calculations for charged defects at surfaces, interfaces, and two-dimensional materials in the presence of electric fields," Physical Review B 97 (20), 205425 (2018).
2.
Raheleh Hadian, Blazej Grabowski, Michael W. Finnis, and Jörg Neugebauer, "Migration mechanisms of a faceted grain boundary," Physical Review Materials 2 (4), 043601 (2018).

Talks

3.
Jörg Neugebauer, "Fundamental compositional limitations in the thin film growth of metastable alloys", (2018).
4.
Liam Huber, "High-throughput calculations and modelling of solute-GB segregation", (2018).

Interface Chemistry and Surface Engineering (GO)

Publications

5.
Emilio Scalise, Vishwas Srivastava, Eric Janke, Dmitri Talapin, Giulia Galli, and Stefan Martin Wippermann, "Surface chemistry and buried interfaces in all-inorganic nanocrystalline solids," Nature Nanotechnology 13, 841-848 (2018).
6.
Simon Geiger, Olga Kasian, Marc Ledendecker, Enrico Pizzutilo, Andrea Maria Mingers, Wen Tian Fu, Oscar A. Díaz-Morales, Zhizhong Li, Tobias Oellers, Luc Fruchter, Alfred Ludwig, Karl Johann Jakob Mayrhofer, Marc T. M. Koper, and Serhiy Cherevko, "The stability number as a metric for electrocatalyst stability benchmarking," Nature Catalysis 1, 508-515 (2018).

Talks

Microstructure Physics and Alloy Design (MA)

Publications

7.
Alisson Kwiatkowski da Silva, Dirk Ponge, Zirong Peng, Gerhard Inden, Y. Lu, Andrew J. Breen, Baptiste Gault, and Dierk Raabe, "Phase nucleation through confined spinodal fluctuations at crystal defects evidenced in Fe–Mn alloys," Nature Communications 9 (1), 1137 (2018).
8.
Silva Basu, Zhiming Li, Konda Gokuldoss Pradeep, and Dierk Raabe, "Strain Rate Sensitivity of a TRIP-Assisted Dual-Phase High-Entropy Alloy," Frontiers in Materials Structural Materials 5 (30), 1-10 (2018).

Talks

9.
Dierk Raabe, Dirk Ponge, Alisson Kwiatkowski da Silva, Michael Herbig, Surendra Kumar Makineni, Xiaoxiang Wu, Shyam Katnagallu, Leigh Stephenson, Huan Zhao, Motomichi Koyama, Paraskevas Kontis, Christina Scheu, Christian Liebscher, Gunther F. Eggeler, Erdmann Spiecker, and Baptiste Gault, "Advancing Alloys by Segregation Engineering", (2018).
10.
Dierk Raabe, Dirk Ponge, Alisson Kwiatkowski da Silva, Michael Herbig, Surendra Kumar Makineni, Shyam Katnagallu, Leigh Stephenson, Christina Scheu, Christian Liebscher, and Baptiste Gault, "From Seeing Atoms Toward Understanding Atoms: Methods, Results and Challenges of Advanced Atom Probe Tomography", (2018).

Structure and Nano-/Micromechanics of Materials (SN)

Publications

11.
Jinming Guo, Georg Haberfehlner, Julian Rosalie, Lei Li, Maria Jazmin Duarte, Gerald Kothleitner, Gerhard Dehm, Yunbin He, Reinhard Pippan, and Zaoli Zhang, "In-situ atomic-scale observation of oxidation and decomposition processes in nanocrystalline alloys," Nature Communications 9, 1-9 (2018).
12.
Christian Liebscher, Andreas Stoffers, Masud Alam, Liverios Lymperakis, Oana Cojocaru-Mirédin, Baptiste Gault, Jörg Neugebauer, Gerhard Dehm, Christina Scheu, and Dierk Raabe, "Strain-Induced Asymmetric Line Segregation at Faceted Si Grain Boundaries," Physical Review Letters 121 (015702), 1 -5 (2018).

Talks

13.
Nataliya Valerievna Malyar, Jean-Sebastien Micha, Gerhard Dehm, and Christoph Kirchlechner, "Quantifying dislocation slip transmission by in situ micromechanics", (2018).
14.
Gerhard Dehm, Nicolas J. Peter, Christian Liebscher, and Christoph Kirchlechner, "Ag Induced Phase Transformation of a Sigma 5 Grain Boundary in Copper", (2018).
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