Journal Article (579)
181.
Journal Article
185, pp. 13 - 27 (2020)
On the assessment of creep damage evolution in nickel-based superalloys through correlative HR-EBSD and cECCI studies. Acta Materialia 182.
Journal Article
185, pp. 98 - 109 (2020)
A decohesion pathway for hydrogen embrittlement in nickel: Mechanism and quantitative prediction. Acta Materialia 183.
Journal Article
101, 020102(R) (2020)
Finite-size corrections for defect-involving vertical transitions in supercell calculations. Physical Review B 184.
Journal Article
6, 4 (2020)
Unfolding the complexity of phonon quasi-particle phys-ics in disordered materials. npj Computational Materials 185.
Journal Article
183, pp. 362 - 376 (2020)
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 186.
Journal Article
4, 014402 (2020)
Unveiling the mechanism of abnormal magnetic behavior of FeNiCoMnCu high-entropy alloys through a joint experimental - theoretical study. Physical Review Materials 187.
Journal Article
128 (15), 150901 (2020)
Frontiers in atomistic simulations of high entropy alloys. Journal of Applied Physics 188.
Journal Article
21 (12), 123020 (2019)
Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 189.
Journal Article
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 190.
Journal Article
9 (1), 9047 (2019)
Role of hole confinement in the recombination properties of InGaN quantum structures. Scientific Reports 191.
Journal Article
9 (1), 15907 (2019)
Al5+αSi5+δN12, a new Nitride compound. Scientific Reports 192.
Journal Article
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 193.
Journal Article
5 (1), 55 (2019)
Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials. npj Computational Materials 194.
Journal Article
3 (11), 113603 (2019)
Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy. Physical Review Materials 195.
Journal Article
100 (10), 104110 (2019)
Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium. Physical Review B 196.
Journal Article
3, 084407 (2019)
Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams. Physical Review Materials 197.
Journal Article
111, 106520 (2019)
Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design. Intermetallics 198.
Journal Article
100 (2), 024303 (2019)
Fast anharmonic free energy method with an application to vacancies in ZrC. Physical Review B 199.
Journal Article
216, 106502 (2019)
The role of atomistic simulations in probing hydrogen effects on plasticity and embrittlement in metals. Engineering Fracture Mechanics 200.
Journal Article
9 (6), 299 (2019)
Elasticity of phases in Fe–Al–Ti superalloys: Impact of atomic order and anti-phase boundaries. Crystals