Publications
Journal Article (16)
1.
Journal Article
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 2.
Journal Article
161, pp. 412 - 419 (2018)
Dislocation slip transmission through a coherent Σ3{111} copper twin boundary: Strain rate sensitivity, activation volume and strength distribution function. Acta Materialia 3.
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 4.
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 5.
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 6.
Journal Article
20 (9), 655 (2018)
Impact of chemical fluctuations on stacking fault energies of CrCoNi and CrMnFeCoNi high entropy alloys from first principles. Entropy 7.
Journal Article
6 (8), pp. 1429 - 1447 (2018)
Coupling Phenomena in Magnetocaloric Materials. Energy Technology 8.
Journal Article
2 (7), 073801 (2018)
Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials 9.
Journal Article
97 (21), 214106 (2018)
Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni. Physical Review B 10.
Journal Article
97 (22), 224102 (2018)
Adaptive modulation in the Ni2Mn1.4In0.6 magnetic shape-memory Heusler alloy. Physical Review B 11.
Journal Article
8 (6), 430, pp. 1 - 16 (2018)
Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 12.
Journal Article
148, pp. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 13.
Journal Article
150, pp. 53 - 58 (2018)
Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 14.
Journal Article
97 (14), 140506 (2018)
Pressure effects on the electronic properties of the undoped superconductor ThFeAsN. Physical Review B 15.
Journal Article
4 (1), 7 (2018)
Temperature-dependent phonon spectra of magnetic random solid solutions. npj Computational Materials 16.
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 Conference Paper (1)
17.
Conference Paper
13, pp. 1099 - 1104 (2018)
Atomistic modelling of light-element co-segregation at structural defects in iron. 22nd European Conference on Fracture, ECF 2018, Belgrade, Serbia, August 25, 2018 - September 26, 2018. Procedia Structural Integrity Talk (11)
18.
Talk
Machine-Learning assisted Heisenberg model for systems with ill-defined magnetic interactions. Thermec 2018 Conference, Paris, France (2018)
19.
Talk
Efficient approach to compute melting properties fully from ab initio with application to Cu. CALPHAD XLVII Conference, Querétaro, México (2018)
20.
Talk
Knowledge driven engineering of materials: Development and application of ab initio based scale bridging methods. Seminar at HSU Hamburg, Hamburg, Germany (2018)