Journal Article (579)
101.
Journal Article
105 (13), 134101 (2022)
Atomistic insights into the mixed-alkali effect in phosphosilicate glasses. Physical Review B 102.
Journal Article
227, 117693 (2022)
Effects of Cr/Ni ratio on physical properties of Cr–Mn–Fe–Co–Ni high-entropy alloys. Acta Materialia 103.
Journal Article
226, 117608 (2022)
Non-uniform He bubble formation in W/W2C composite: Experimental and ab-initio study. Acta Materialia 104.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 105.
Journal Article
602, pp. 437 - 441 (2022)
Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 106.
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 107.
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 108.
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 109.
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 110.
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 111.
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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 112.
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239, pp. 339 - 356 (2022)
Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions 113.
Journal Article
Controlled Doping of Electrocatalysts through Engineering Impurities. Advanced Materials, 2203030 (2022)
114.
Journal Article
8 (1), 13 (2022)
Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe. npj Computational Materials 115.
Journal Article
132 (22), 223102 (2022)
Step pinning and hillock formation in (Al,Ga)N films on native AlN substrates. Journal of Applied Physics 116.
Journal Article
28 (4), pp. 1150 - 1167 (2022)
Status and Direction of Atom Probe Analysis of Frozen Liquids. Microscopy and Microanalysis 117.
Journal Article
5 (12), 124004 (2021)
Charged vacancy defects in monolayer phosphorene. Physical Review Materials 118.
Journal Article
30 (1), 015002 (2021)
MEAM interatomic potentials of Ni, Re, and Ni–Re alloys for atomistic fracture simulations. Modelling and Simulation in Materials Science and Engineering 119.
Journal Article
7 (1), 34 (2021)
Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 120.
Journal Article
203, 114036 (2021)
Revealing atomic-scale vacancy-solute interaction in nickel. Scripta Materialia