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Journal Article (109)
1.
Journal Article
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 2.
Journal Article
101 (9), 094201 (2020)
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 3.
Journal Article
68, 101731 (2020)
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 4.
Journal Article
183, pp. 362 - 376 (2020)
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 5.
Journal Article
Mechanism of collective interstitial ordering in Fe–C alloys. Nature Materials (2020)
6.
Journal Article
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 7.
Journal Article
3, 084407 (2019)
Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams. Physical Review Materials 8.
Journal Article
163, pp. 24 - 36 (2019)
pyiron: An integrated development environment for computational materials sciences. Computational Materials Science 9.
Journal Article
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 10.
Journal Article
8 (1), 9147 (2018)
Role of disorder when upscaling magnetocaloric Ni–Co–Mn–Al Heusler alloys from thin films to ribbons. Scientific Reports 11.
Journal Article
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 12.
Journal Article
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 13.
Journal Article
6 (8), pp. 1429 - 1447 (2018)
Coupling Phenomena in Magnetocaloric Materials. Energy Technology 14.
Journal Article
2 (7), 073801 (2018)
Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials 15.
Journal Article
8 (6), 430, pp. 1 - 16 (2018)
Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 16.
Journal Article
148, pp. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 17.
Journal Article
150, pp. 53 - 58 (2018)
Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 18.
Journal Article
2, 023804, pp. 1 - 6 (2018)
Tetragonal fcc-Fe induced by κ-carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory. Physical Review Materials 19.
Journal Article
8 (1), 1006, pp. 1 - 10 (2017)
Robust Bain distortion in the premartensite phase of a platinum-substituted Ni2MnGa magnetic shape memory alloy. Nature Communications 20.
Journal Article
Impact of Co and Fe doping on the martensitic transformation and the magnetic properties in Ni–Mn-based Heusler alloys. Physica Status Solidi B, 1700455 , pp. 1 - 7 (2017)