Publikationen von Tilmann Hickel
Alle Typen
Zeitschriftenartikel (132)
21.
Zeitschriftenartikel
102 (14), 144101 (2020)
Atomic relaxation around defects in magnetically disordered materials computed by atomic spin constraints within an efficient Lagrange formalism. Physical Review B 22.
Zeitschriftenartikel
195, S. 35 - 49 (2020)
Diffusion, defects and understanding the growth of a multicomponent interdiffusion zone between Pt-modified B2 NiAl bond coat and single crystal superalloy. Acta Materialia 23.
Zeitschriftenartikel
19, S. 849 - 854 (2020)
Mechanism of collective interstitial ordering in Fe–C alloys. Nature Materials 24.
Zeitschriftenartikel
101 (9), 094201 (2020)
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 25.
Zeitschriftenartikel
68, 101731 (2020)
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 26.
Zeitschriftenartikel
6, 4 (2020)
Unfolding the complexity of phonon quasi-particle phys-ics in disordered materials. npj Computational Materials 27.
Zeitschriftenartikel
183, S. 362 - 376 (2020)
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 28.
Zeitschriftenartikel
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 29.
Zeitschriftenartikel
3, 084407 (2019)
Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams. Physical Review Materials 30.
Zeitschriftenartikel
65, S. 79 - 85 (2019)
An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al. Calphad 31.
Zeitschriftenartikel
163, S. 24 - 36 (2019)
pyiron: An integrated development environment for computational materials sciences. Computational Materials Science 32.
Zeitschriftenartikel
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 33.
Zeitschriftenartikel
8 (1), 9147 (2018)
Role of disorder when upscaling magnetocaloric Ni–Co–Mn–Al Heusler alloys from thin films to ribbons. Scientific Reports 34.
Zeitschriftenartikel
121 (12), 125902 (2018)
Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 35.
Zeitschriftenartikel
2 (9), 093606 (2018)
110 planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials 36.
Zeitschriftenartikel
6 (8), S. 1429 - 1447 (2018)
Coupling Phenomena in Magnetocaloric Materials. Energy Technology 37.
Zeitschriftenartikel
2 (7), 073801 (2018)
Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials 38.
Zeitschriftenartikel
8 (6), 430, S. 1 - 16 (2018)
Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 39.
Zeitschriftenartikel
148, S. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 40.
Zeitschriftenartikel
150, S. 53 - 58 (2018)
Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia