Journal Article (604)
121.
Journal Article
Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials 12 (17), 2102638 (2022)
122.
Journal Article
Effects of interatomic potential on fracture behaviour in single- and bicrystalline tungsten. Computational Materials Science 207 (18), 111283 (2022)
123.
Journal Article
The influence of temperature on the strain-hardening behavior of Fe–22/25/28Mn–3Al–3Si TRIP/TWIP steels. Materialia 22, 101425 (2022)
124.
Journal Article
Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe–Cr–H ternary system. Physical Review Materials 6 (4), 043604 (2022)
125.
Journal Article
Fermi-Surface Origin of Skyrmion Lattices in Centrosymmetric Rare-Earth Intermetallics. Physical Review Letters 128 (15), 157206 (2022)
126.
Journal Article
Atomistic insights into the mixed-alkali effect in phosphosilicate glasses. Physical Review B 105 (13), 134101 (2022)
127.
Journal Article
Effects of Cr/Ni ratio on physical properties of Cr–Mn–Fe–Co–Ni high-entropy alloys. Acta Materialia 227, 117693 (2022)
128.
Journal Article
Non-uniform He bubble formation in W/W2C composite: Experimental and ab-initio study. Acta Materialia 226, 117608 (2022)
129.
Journal Article
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 105 (16), 064425 (2022)
130.
Journal Article
Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 602, pp. 437 - 441 (2022)
131.
Journal Article
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 833, 142372 (2022)
132.
Journal Article
Origins of the hydrogen signal in atom probe tomography: case studies of alkali and noble metals. New Journal of Physics 24, 013008 (2022)
133.
Journal Article
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 6 (1), 014403 (2022)
134.
Journal Article
Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 105 (1), 014103 (2022)
135.
Journal Article
Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 144 (2), pp. 987 - 994 (2022)
136.
Journal Article
A new method for microscale cyclic crack growth characterization from notched microcantilevers and application to single crystalline tungsten and a metallic glass. Journal of Materials Research 37, pp. 2061 - 2072 (2022)
137.
Journal Article
Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions 239, pp. 339 - 356 (2022)
138.
Journal Article
Controlled Doping of Electrocatalysts through Engineering Impurities. Advanced Materials, 2203030 (2022)
139.
Journal Article
Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe. npj Computational Materials 8 (1), 13 (2022)
140.
Journal Article
Step pinning and hillock formation in (Al,Ga)N films on native AlN substrates. Journal of Applied Physics 132 (22), 223102 (2022)