Tilmann Hickel

Overview

Best Publications

• First-principles calculations for point defects in solids

  Christoph Freysoldt;Blazej Grabowski;Tilmann Hickel;Jörg Neugebauer

  2955
  Citations

• A map for phase-change materials.

  Dominic Lencer;Martin Salinga;Blazej Grabowski;Tilmann Hickel

  850
  Citations

• Revealing the strain-hardening behavior of twinning-induced plasticity steels: Theory, simulations, experiments

  David R. Steinmetz;Tom Jäpel;Burkhard Wietbrock;Philip Eisenlohr

  567
  Citations

• Ab initio up to the melting point: Anharmonicity and vacancies in aluminum

  Blazej Grabowski;Lars Ismer;Tilmann Hickel;Jörg Neugebauer

  329
  Citations

• Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends

  Blazej Grabowski;Tilmann Hickel;Jörg Neugebauer

  298
  Citations

• First-principles study on the interaction of H interstitials with grain boundaries in alpha- and gamma-Fe

  Yaojun A. Du;Lars Ismer;Jutta Rogal;Tilmann Hickel

  297
  Citations

• Strengthening and strain hardening mechanisms in a precipitation-hardened high-Mn lightweight steel

  Mengji Yao;Emanuel David Welsch;Dirk Ponge;Seyed Masood Hafez Haghighat

  275
  Citations

• Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions

  F. Körmann;A. Dick;B. Grabowski;B. Hallstedt

  203
  Citations

• Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics

  Albert Glensk;Blazej Grabowski;Tilmann Hickel;Jörg Neugebauer

  201
  Citations

• Density functional theory in materials science

  Jörg Neugebauer;Tilmann Hickel

  199
  Citations

• Understanding the phase transformations of the Ni2MnGa shape memory system from first principles

  Matthé Uijttewaal;Tilmann Hickel;Jörg Neugebauer;Markus E. Gruner

  188
  Citations

• First-principles investigation of hydrogen interaction with TiC precipitates in α -Fe

  Davide Di Stefano;Roman Nazarov;Roman Nazarov;Tilmann Hickel;Jörg Neugebauer

  162
  Citations

• First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys

  Afshin Abbasi;Alexey Dick;Tilmann Hickel;Joerg Neugebauer

  160
  Citations

• First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron

  R. Nazarov;T. Hickel;J. Neugebauer

  157
  Citations

• Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron

  F. Körmann;A. Dick;B. Grabowski;T. Hickel

  149
  Citations

• Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation.

  Albert Glensk;Blazej Grabowski;Tilmann Hickel;Jörg Neugebauer

  145
  Citations

• pyiron: An integrated development environment for computational materials science

  Jan Janssen;Sudarsan Surendralal;Yury Lysogorskiy;Mira Todorova

  139
  Citations

• Ab initio study of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies

  Roman Nazarov;Roman Nazarov;Tilmann Hickel;Jörg Neugebauer

  136
  Citations

• Advancing density functional theory to finite temperatures: methods and applications in steel design

  Tilmann Hickel;Blazej Grabowski;Fritz Körmann;Jörg Neugebauer

  128
  Citations

• Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe–Mn–Al–C low density steel

  Mengji Yao;Poulumi Dey;Jae Bok Seol;Pyuck-Pa Choi

  127
  Citations

• Designing shape-memory Heusler alloys from first-principles

  M. Siewert;M. E. Gruner;A. Dannenberg;A. Chakrabarti

  118
  Citations

• Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment.

  Fritz Körmann;Blazej Grabowski;Biswanath Dutta;Tilmann Hickel

  117
  Citations