Journal Article (586)
101.
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 102.
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 103.
Journal Article
12 (17), 2102638 (2022)
Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials 104.
Journal Article
207 (18), 111283 (2022)
Effects of interatomic potential on fracture behaviour in single- and bicrystalline tungsten. Computational Materials Science 105.
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 106.
Journal Article
6 (4), 043604 (2022)
Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe–Cr–H ternary system. Physical Review Materials 107.
Journal Article
128 (15), 157206 (2022)
Fermi-Surface Origin of Skyrmion Lattices in Centrosymmetric Rare-Earth Intermetallics. Physical Review Letters 108.
Journal Article
105 (13), 134101 (2022)
Atomistic insights into the mixed-alkali effect in phosphosilicate glasses. Physical Review B 109.
Journal Article
227, 117693 (2022)
Effects of Cr/Ni ratio on physical properties of Cr–Mn–Fe–Co–Ni high-entropy alloys. Acta Materialia 110.
Journal Article
226, 117608 (2022)
Non-uniform He bubble formation in W/W2C composite: Experimental and ab-initio study. Acta Materialia 111.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 112.
Journal Article
602, pp. 437 - 441 (2022)
Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 113.
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 114.
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 115.
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 116.
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 117.
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 118.
Journal Article
37, pp. 2061 - 2072 (2022)
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 119.
Journal Article
239, pp. 339 - 356 (2022)
Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions 120.
Journal Article
Controlled Doping of Electrocatalysts through Engineering Impurities. Advanced Materials, 2203030 (2022)