Publications of Tilmann Hickel
All genres
Journal Article (133)
81.
Journal Article
76, pp. 94 - 105 (2014)
Designing Heusler nanoprecipitates by elastic misfit stabilization in Fe–Mn maraging steels. Acta Materialia 82.
Journal Article
26 (33), 335401 (2014)
Reliability evaluation of thermophysical properties from first-principles calculations. Journal of Physics: Condensed Matter 83.
Journal Article
75, pp. 147 - 155 (2014)
Impact of nanodiffusion on the stacking fault energy in high-strength steels. Acta Materialia 84.
Journal Article
66 (8), pp. 1399 - 1405 (2014)
Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. JOM 85.
Journal Article
89 (14), 144108 (2014)
Ab initio study of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies. Physical Review B 86.
Journal Article
86 (1), 253 (2014)
First-principles calculations for point defects in solids. Reviews of Modern Physics 87.
Journal Article
4 (1), 011018 (2014)
Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics. Physical Review X 88.
Journal Article
251 (1), pp. 53 - 80 (2014)
Lambda transitions in materials science: Recent advances in CALPHAD and first-principles modelling. Physica Status Solidi B 89.
Journal Article
86 (11), 449 (2013)
Interplay between Coulomb interaction and quantum-confined Stark-effect in polar and nonpolar wurtzite InN/GaN quantum dots. European Physical Journal B 90.
Journal Article
25 (42), 425401 (2013)
Thermodynamic modeling of chromium: strong and weak magnetic coupling. Journal of Physics: Condensed Matter 91.
Journal Article
3 (12), 122112 (2013)
Thickness dependent exchange bias in martensitic epitaxial Ni–Mn–Sn thin films. AIP Advances 92.
Journal Article
103 (7), pp. 073115-1 - 073115-4 (2013)
Polarization effects due to thickness fluctuations in nonpolar InGaN/GaN quantum wells. Applied Physics Letters 93.
Journal Article
3 (5), pp. 438 - 448 (2013)
Density functional theory in materials science. Wiley Interdisciplinary Reviews-Computational Molecular Science 94.
Journal Article
61 (2), pp. 494 - 510 (2013)
Revealing the strain-hardening behavior of twinning-induced plasticity steels: Theory, simulations, experiments. Acta Materialia 95.
Journal Article
407 (23), pp. 4350 - 4536 (2012)
Thermodynamic and physical properties of FeAl and Fe3Al: An atomistic study by EAM simulation. Physica B-Condensed Matter 96.
Journal Article
14 (8), pp. 547 - 561 (2012)
Ab Initio-Based Prediction of Phase Diagrams: Application to Magnetic Shape Memory Alloys. Advanced Engineering Materials 97.
Journal Article
44 (3-5), pp. 183 - 188 (2012)
A flexible, plane-wave based multiband k . p model. Optical and Quantum Electronics 98.
Journal Article
85 (15), pp. 155144-1 - 155144-10 (2012)
Solution enthalpy of hydrogen in fourth row elements: Systematic trends derived from first principles. Physical Review B 99.
Journal Article
85 (14), 144118 (2012)
Vacancy formation energies in fcc metals: Influence of exchange-correlation functionals and correction schemes. Physical Review B 100.
Journal Article
37, pp. 77 - 86 (2012)
Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry