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Zeitschriftenartikel (314)
61.
Zeitschriftenartikel
183, S. 362 - 376 (2020)
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 62.
Zeitschriftenartikel
21 (12), 123020 (2019)
Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 63.
Zeitschriftenartikel
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 64.
Zeitschriftenartikel
9 (1), 9047 (2019)
Role of hole confinement in the recombination properties of InGaN quantum structures. Scientific Reports 65.
Zeitschriftenartikel
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 66.
Zeitschriftenartikel
5 (1), 55 (2019)
Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials. npj Computational Materials 67.
Zeitschriftenartikel
3 (11), 113603 (2019)
Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy. Physical Review Materials 68.
Zeitschriftenartikel
100 (10), 104110 (2019)
Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium. Physical Review B 69.
Zeitschriftenartikel
3, 084407 (2019)
Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams. Physical Review Materials 70.
Zeitschriftenartikel
111, 106520 (2019)
Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design. Intermetallics 71.
Zeitschriftenartikel
9 (6), 299 (2019)
Elasticity of phases in Fe–Al–Ti superalloys: Impact of atomic order and anti-phase boundaries. Crystals 72.
Zeitschriftenartikel
163, S. 24 - 36 (2019)
pyiron: An integrated development environment for computational materials sciences. Computational Materials Science 73.
Zeitschriftenartikel
168, S. 109 - 120 (2019)
Thermodynamics of grain boundary segregation, interfacial spinodal and their relevance for nucleation during solid-solid phase transitions. Acta Materialia 74.
Zeitschriftenartikel
7 (MAR), 106 (2019)
The basics of electronic structure theory for periodic systems. Frontiers in Chemistry 75.
Zeitschriftenartikel
31, 1807142 (2019)
Ultrastrong Medium‐Entropy Single‐Phase Alloys Designed via Severe Lattice Distortion. Advanced Materials 76.
Zeitschriftenartikel
123 (9), S. 5495 - 5506 (2019)
Deciphering Charge Transfer and Electronic Polarization Effects at Gold Nanocatalysts on Reduced Titania Support. The Journal of Physical Chemistry C 77.
Zeitschriftenartikel
27 (2), 025007 (2019)
Transferability of interatomic potentials for molybdenum and silicon. Modelling and Simulation in Materials Science and Engineering 78.
Zeitschriftenartikel
58 (1), S. 149 - 153 (2019)
Discovery of Elusive K4O6, a Compound Stabilized by Configurational Entropy of Polarons. Angewandte Chemie International Edition 79.
Zeitschriftenartikel
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 80.
Zeitschriftenartikel
4 (1), 64 (2018)
A machine learning approach to model solute grain boundary segregation. npj Computational Materials