Selected Publications and Talks

Computational Materials Design (CM)

Publications

L.-F. Zhu, F. Körmann, A.V. Ruban, J. Neugebauer, B. Grabowski: 

Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles. Application to Al and magnetic Ni. 
Phys Rev B 101 (2020) 144108.
Source
DOI

M. Ashton, A. Mishra, J. Neugebauer, C. Freysoldt: 

Ab initio Description of Bond Breaking in Large Electric Fields.
Phys Rev Let 124 (2020) 176801.
Source
DOI

Talks

J. Neugebauer:

Modeling crystal growth and materials design in high dimensional chemical and structural configuration spaces.
German Conference on Crystal Growth DKT, Munich, Gemany, 11 - 13 Mar 2020.

J. Neugebauer:

Materials Design in High Dimensional Chemical and Structural Configuration Space.
TMS 2020 Annual Meeting & Exhibition, San Diego, USA, 23 - 27 Feb 2020.

Interface Chemistry and Surface Engineering (GO)

Publications

D. Gohl, H. Rueß, S. Schlicht, A. Vogel, M. Rohwerder, K.J.J. Mayrhofer, J. Bachmann, Y. Román-Leshkov, J.M. Schneider, M. Ledendecker:

Stable and Active Oxygen Reduction Catalysts with Reduced Noble Metal Loadings through Potential Triggered Support Passivation.
ChemElectroChem, in print.
Source
DOI

B.H. Sun, W. Krieger, M. Rohwerder, D. Ponge, D. Raabe:

Dependence of hydrogen embrittlement mechanisms on microstructure-driven hydrogen distribution in medium Mn steels.
Acta Mater 183 (2020) 313.
Source
DOI

Talks

M. Rohwerder
Zinc alloy coatings and nano-composite coatings for corrosion protection: From the basics to new challenges.
IIM NMD ATM 2019: Advanced Materials for Industrial and Societal Applications, Kovalam, Thiruvananthapuram, India, 13 - 16 Nov 2019.
M. Rohwerder
Delamination of organic coatings: what are the rate determining processes?
EUROCORR, Seville, Spain, 9 - 13 Sep 2019.

Microstructure Physics and Alloy Design (MA)

Publications

A.J. Breen, L.T. Stephenson, B. Sun, Y. Li, O. Kasian, D. Raabe, M. Herbig, B. Gault:

Solute hydrogen and deuterium observed at the near atomic scale in high-strength steel.
Acta Mater 188 (2020) 108.
Source
DOI

H. Zhao, L. Huber, W. Lu, N.J. Peter, D. An, F. De Geuser, G. Dehm, D. Ponge, J. Neugebauer, B. Gault, D. Raabe:

Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy.
Phys Rev Let 124 (2020) 106102.
Source
DOI

Talks

S. Balachandran, D. Mayweg, Y. Qin, E. Norouzi, L. Morsdorf, P.-Y. Tung, A. Fischer, D. Raabe, M. Herbig:

Material Alterations in Intense Mechanical and Chemical Contacts. 
TMS 2020 Annual Meeting & Exhibition, San Diego, USA, 23 - 27 Feb 2020.
M. Diehl, N. Kusampudi, C. Kusche, D. Raabe, S. Korte-Kerzel:
Combining Experiments, Simulations and Data Science to Understand Damage in Dual Phase Steels.
International Conference on Plasticity, Damage & Fracture, Riviera Maya, Mexico, 3 - 6 Jan 2020.

Structure and Nano-/Micromechanics of Materials (SN)

Publications

T. Meiners, T. Frolov, R.E. Rudd, G. Dehm, C.H. Liebscher:

Observations of grain-boundary phase transformations in an elemental metal.
Nat 579 (2020) 375.
Source
DOI

S. Lee, M.J. Duarte, M. Feuerbacher, R. Soler, C. Kirchlechner, C.H. Liebscher, S.H. Oh, G. Dehm:

Dislocation plasticity in FeCoCrMnNi high-entropy alloy: quantitative insights from in situ transmission electron microscopy deformation.
Mater Res Lett 8 (2020) 216.
Source
DOI

Talks

M.J. Duarte, J. Rao, X. Fang, S. Brinckmann, G. Dehm: 

Hydrogen-microstructure interactions at small scale by in-situ nanoindentation during hydrogen charging.
Nanobrücken 2020: A nanomechanical Testing Conference, Düsseldorf, Germany, 4 - 6 Feb 2020.

F. Stein, B. Distl, Z. Kahrobaee, M. Palm, K. Hauschildt, M.W. Rackel, F. Pyczak, S. Mayer, Y. Yang, H.-L. Chen, A. Engström:

Improvement of a CALPHAD Database for the Development of Next Generation TiAl Alloys by Targeted Key Experiments on High-temperature Phase Equilibria – The EU Project ADVANCE.
TMS 2020 Annual Meeting & Exhibition, San Diego, USA, 23 - 27 Feb 2020.
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