Journal Article (533)
41.
Journal Article
234, 117996 (2022)
On the influence of Al-concentration on the fracture toughness of NiAl: Microcantilever fracture tests and atomistic simulations. Acta Materialia 42.
Journal Article
500-501, 204339 (2022)
Structural reorientation and compaction of porous MoS2 coatings during wear testing. WEAR 43.
Journal Article
Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. Condensed Matter: Materials Science (2022)
44.
Journal Article
105 (21), 214302 (2022)
Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic ab initio study aided by machine learning potentials. Physical Review B 45.
Journal Article
105 (18), 184111 (2022)
Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping. Physical Review B 46.
Journal Article
108, pp. 270 - 280 (2022)
Effect of solid-solution strengthening on deformation mechanisms and strain hardening in medium-entropy V1-xCrxCoNi alloys. Journal of Materials Science & Technology 47.
Journal Article
207 (18), 111283 (2022)
Effects of interatomic potential on fracture behaviour in single- and bicrystalline tungsten. Computational Materials Science 48.
Journal Article
22, 101425 (2022)
The influence of temperature on the strain-hardening behavior of Fe–22/25/28Mn–3Al–3Si TRIP/TWIP steels. Materialia 49.
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6 (4), 043604 (2022)
Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system. Physical Review Materials 50.
Journal Article
105 (13), 134101 (2022)
Atomistic insights into the mixed-alkali effect in phosphosilicate glasses. Physical Review B 51.
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227, 117693 (2022)
Effects of Cr/Ni ratio on physical properties of Cr–Mn–Fe–Co–Ni high-entropy alloys. Acta Materialia 52.
Journal Article
226, 117608 (2022)
Non-uniform He bubble formation in W/W2C composite: Experimental and ab-initio study. Acta Materialia 53.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 54.
Journal Article
602, pp. 437 - 441 (2022)
Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 55.
Journal Article
833, 142372 (2022)
Cementite decomposition in 100Cr6 bearing steel during high-pressure torsion: Influence of precipitate composition, size, morphology and matrix hardness. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 56.
Journal Article
24, 013008 (2022)
Origins of the hydrogen signal in atom probe tomography: case studies of alkali and noble metals. New Journal of Physics 57.
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 58.
Journal Article
105 (1), 014103 (2022)
Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 59.
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 60.
Journal Article
Accurate computation of chemical contrast in field ion microscopy. Condensed Matter: Materials Science (2022)