Publications of Tilmann Hickel
All genres
Journal Article (25)
1.
Journal Article
7 (1), 014410 (2023)
Combined ab initio and experimental screening of phase stabilities in the Ce–Fe–Ti–X system (X=3d and 4d metals). Physical Review Materials 2.
Journal Article
Metastable defect phase diagrams as a tool to describe chemically driven defect formation: Application to planar defects. arXiv preprint arXiv:2303.07504 (2023)
3.
Journal Article
9 (4), 041311 (2022)
Defect-characterized phase transition kinetics. Applied Physics Reviews 4.
Journal Article
Tailoring negative pressure by crystal defects: Crack induced hydride formation in Al alloys. Condensed Matter: Materials Science (2022)
5.
Journal Article
Effect of Sn on Generalized Stacking Fault Energy Surfaces in Zirconium and its Hydrides. Condensed Matter: Materials Science (2022)
6.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 7.
Journal Article
602, pp. 437 - 441 (2022)
Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 8.
Journal Article
6 (1), 014403 (2022)
Unveiling nonmonotonic chemical trends in the solubility of H in complex Fe–Cr–Mn carbides by means of ab initio based approaches. Physical Review Materials 9.
Journal Article
144 (2), pp. 987 - 994 (2022)
Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 10.
Journal Article
5 (6), 064403 (2021)
Influence of crystalline defects on magnetic nanodomains in a rare-earth-free magnetocrystalline anisotropic alloy. Physical Review Materials 11.
Journal Article
14 (8), 1837 (2021)
A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 12.
Journal Article
104 (18), 184107 (2021)
Impact of magnetic transition on Mn diffusion in alpha-iron: Correlative state-of-the-art theoretical and experimental study. Physical Review B 13.
Journal Article
Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials, 2102638 (2021)
14.
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 15.
Journal Article
101 (9), 094201 (2020)
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 16.
Journal Article
68, 101731 (2020)
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 17.
Journal Article
6, 4 (2020)
Unfolding the complexity of phonon quasi-particle phys-ics in disordered materials. npj Computational Materials 18.
Journal Article
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 19.
Journal Article
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 20.
Journal Article
8 (6), 430, pp. 1 - 16 (2018)
Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals