Newsletter 2019 (2)

Selected Publications & Talks

Computational Materials Design (CM)

Publications

1.
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.
2.
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.
DOI

Talks

3.
J. Neugebauer:
Ab initio descriptors to de­sign materials with superior mechanical properties. Materials Day 2019 "Materials Modeling: Across Scales, Across Materi­als".
4.
J. Neugebauer:
Machine leaming in materi­als screening and discovery. GRC Physical Metallurgy "Coupling Computation, Data Science and Experiments in Physical Met­allurgy".

Interface Chemistry and Surface Engineering (GO)

Publications

5.
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.
6.
S. K. Song, A. Samad, S. Wippermann, H. W. Yeom:
Dynamical metal to charge-den­sity-wave junctians in an atomic wire array.

Talks

7.
S. Wippermann:
Electrically triggered re­acfions at interfaces: a first principles
perspective.
8.
M. Rohwerder:
Intelligent coatings for cor­rosion protection: on the need for new coat­ing concepts.

Microstructure Physics and Alloy Design (MA)

Publications

9.
D. Raabe, C. Tasan, E. A. Olivetti:
Strat­egies for improving the sustainability of structural metals.
10.
E.P. George, D. Raabe, R.O. Ritchie:
High entropy alloys.

Talks

11.
D. Raabe:
Chemistry at lattice defects probed at atomic scale.
12.
D. Raabe:
The chemical nature of defects probed at atomic scale.

Structure and Nano-/Micromechanics of Materials (SN)

Publications

13.
M. Palm, F. Stein, G. Dehm:
Iron alumi­nides.
DOI
14.
A.K. Saxena, A. Kumar, M. Herbig, S. Brinckmann, G. Dehm, C. Kirchlechner:
Mi­cro fracture investigations of whife etching layers.

Talks

15.
G. Dehm:
Micro- and nanomechanical test­ing of materials - from materials physics to materials design.
16.
G. Dehm, N. Peter, T. Meiners, C. Lieb­scher:
Resolving grain boundary phase transformations by advanced STEM for fcc metals and multinary alloys.
 
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