Selected Publications & Talks

Computational Materials Design (CM)

Publications

H. Sözen, S. Ener, F. Maccari, K. P. Skokov, 0. Gutfleisch, F. Körmann, J. Neugebauer, T. Hickel:

Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams.
Phys Rev Materials 3 (2019) 084407.
Source
DOI

A. Glensk, B. Grabowski, T. Hickel, J. Neugebauer, J. Neuhaus, K. Hradil, W. Petry, M. Leitner:

Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab initio.
Phys Rev Lett 123 (2019) 235501.
DOI

Talks

J. Neugebauer:

Ab initio descriptors to de­sign materials with superior mechanical properties. Materials Day 2019 "Materials Modeling: Across Scales, Across Materi­als".
ETH Zürich, Switzerland, 20 Nov 2019.

J. Neugebauer:

Machine leaming in materi­als screening and discovery. GRC Physical Metallurgy "Coupling Computation, Data Science and Experiments in Physical Met­allurgy".
Southern New Hampshire Univer­sity, Manchester, USA, 7-12 July 2019.

Interface Chemistry and Surface Engineering (GO)

Publications

A. Merz, M. Uebel, M. Rohwerder:
The pro­tection zone: a long-range corrosion protec­tion mechanism around conducting poly­mer particles in composite coafings: Part I. Polyaniline and Polypyrrole.
J Electrochem Soc 166 (2019) C304.
Source
DOI
S. K. Song, A. Samad, S. Wippermann, H. W. Yeom:
Dynamical metal to charge-den­sity-wave junctians in an atomic wire array.
Nano Letters 19 (2019) 5769.
Source
DOI

Talks

S. Wippermann:
Electrically triggered re­acfions at interfaces: a first principles
perspective.
Workshop AGEF and CRC/ TRR247 "lnterfacial Solvent'', University Duisburg-Essen, Germany, 5 Dec 2019.
M. Rohwerder:
Intelligent coatings for cor­rosion protection: on the need for new coat­ing concepts.
International Conference an Corrosion Protection and Application (IC­CPA 2019), Chongqing, China, 10-12 Oct 2019.

Microstructure Physics and Alloy Design (MA)

Publications

D. Raabe, C. Tasan, E. A. Olivetti:
Strat­egies for improving the sustainability of structural metals.
Nature 575 (2019) 64.
Source
DOI
E.P. George, D. Raabe, R.O. Ritchie:
High entropy alloys.
Nat Rev Mater 4 (2019) 515.
Source

Talks

D. Raabe:

Chemistry at lattice defects probed at atomic scale.
20th International Union of Materials Research Societies International Conference in Asia IUMRS, Perth, Australia, 22-26 Sep 2019.

D. Raabe:

The chemical nature of defects probed at atomic scale.
The 53rd Annual Meeting of the Israel Society for Microscopy, Tel Aviv, Israel, 29 May 2019.

Structure and Nano-/Micromechanics of Materials (SN)

Publications

M. Palm, F. Stein, G. Dehm:
Iron alumi­nides.
Annu Rev Mater Res (2019) 49.
DOI
A.K. Saxena, A. Kumar, M. Herbig, S. Brinckmann, G. Dehm, C. Kirchlechner:
Mi­cro fracture investigations of whife etching layers.
Mater Design 180 (2019) 107892.
Source
DOI

Talks

G. Dehm:
Micro- and nanomechanical test­ing of materials - from materials physics to materials design.
Convegno Nazionale INSTM XII, Ischia Porto, ltaly, 21-24 July 2019.
G. Dehm, N. Peter, T. Meiners, C. Lieb­scher:
Resolving grain boundary phase transformations by advanced STEM for fcc metals and multinary alloys.
6th In­ternational Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM-2019), Anna Salai, lndia, 8-12 July, 2019.
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