Journal Article (579)

181.
Journal Article
Sulzer, S.; Li, Z.; Zaefferer, S.; Haghighat, S. M. H.; Wilkinson, A. J.; Raabe, D.; Reed, R. C.: On the assessment of creep damage evolution in nickel-based superalloys through correlative HR-EBSD and cECCI studies. Acta Materialia 185, pp. 13 - 27 (2020)
182.
Journal Article
Tehranchi, A.; Zhou, X.; Curtin, W. A.: A decohesion pathway for hydrogen embrittlement in nickel: Mechanism and quantitative prediction. Acta Materialia 185, pp. 98 - 109 (2020)
183.
Journal Article
Gake, T.; Kumagai, Y.; Freysoldt, C.; Oba, F.: Finite-size corrections for defect-involving vertical transitions in supercell calculations. Physical Review B 101, 020102(R) (2020)
184.
Journal Article
Mu, S.; Olsen, R. J.; Dutta, B.; Lindsay, L.; Samolyuk, G. D.; Berlijn, T.; Specht, E. D.; Jin, K.; Bei, H.; Hickel, T. et al.; Larson, B. C.; Stocks, G. M.: Unfolding the complexity of phonon quasi-particle phys-ics in disordered materials. npj Computational Materials 6, 4 (2020)
185.
Journal Article
Šlapáková, M.; Zendegani, A.; Liebscher, C.; Hickel, T.; Neugebauer, J.; Hammerschmidt, T.; Ormeci, A.; Grin, J.; Dehm, G.; Kumar, K. S. et al.; Stein, F.: Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 183, pp. 362 - 376 (2020)
186.
Journal Article
Rao, Z.; Dutta, B.; Körmann, F.; Ponge, D.; Li, L.; He, J.; Stephenson, L.; Schäfer, L.; Skokov, K.; Gutfleisch, O. et al.; Raabe, D.; Li, Z.: Unveiling the mechanism of abnormal magnetic behavior of FeNiCoMnCu high-entropy alloys through a joint experimental - theoretical study. Physical Review Materials 4, 014402 (2020)
187.
Journal Article
Ferrari, A.; Dutta, B.; Gubaev, K.; Ikeda, Y.; Srinivasan, P.; Grabowski, B.; Körmann, F.: Frontiers in atomistic simulations of high entropy alloys. Journal of Applied Physics 128 (15), 150901 (2020)
188.
Journal Article
Katnagallu, S.; Stephenson, L.; Mouton, I.; Freysoldt, C.; Subramanyam, A. P. A.; Jenke, J.; Ladines, A. N. C.; Neumeier, S.; Hammerschmidt, T.; Drautz, R. et al.; Neugebauer, J.; Vurpillot, F.; Raabe, D.; Gault, B.: Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 21 (12), 123020 (2019)
189.
Journal Article
Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Neuhaus, J.; Hradil, K.; Petry, W.; Leitner, M.: Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 123 (23), 235501 (2019)
190.
Journal Article
Anikeeva, M.; Albrecht, M. R.; Mahler, F.; Tomm, J. W.; Lymperakis, L.; Chèze, C.; Calarco, R.; Neugebauer, J.; Schulz, T.: Role of hole confinement in the recombination properties of InGaN quantum structures. Scientific Reports 9 (1), 9047 (2019)
191.
Journal Article
Dagher, R.; Lymperakis, L.; Delaye, V.; Largeau, L.; Michon, A.; Brault, J.; Vénnègues, P.: Al5+αSi5+δN12, a new Nitride compound. Scientific Reports 9 (1), 15907 (2019)
192.
Journal Article
Grabowski, B.; Ikeda, Y.; Srinivasan, P.; Körmann, F.; Freysoldt, C.; Duff, A. I.; Shapeev, A.; Neugebauer, J.: Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 5 (1), 80 (2019)
193.
Journal Article
Kostiuchenko, T.; Körmann, F.; Neugebauer, J.; Shapeev, A.: Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials. npj Computational Materials 5 (1), 55 (2019)
194.
Journal Article
Ikeda, Y.; Tanaka, I.; Neugebauer, J.; Körmann, F.: Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy. Physical Review Materials 3 (11), 113603 (2019)
195.
Journal Article
Korbmacher, D.; Glensk, A.; Duff, A. I.; Finnis, M. W.; Grabowski, B.; Neugebauer, J.: 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 100 (10), 104110 (2019)
196.
Journal Article
Sözen, H. I.; Ener, S.; Maccari, F.; Skokov, K.; Gutfleisch, O.; Körmann, F.; Neugebauer, J.; Hickel, T.: Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams. Physical Review Materials 3, 084407 (2019)
197.
Journal Article
Rao, Z.; Ponge, D.; Körmann, F.; Ikeda, Y.; Schneeweiss, O.; Friák, M.; Neugebauer, J.; Raabe, D.; Li, Z.: Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design. Intermetallics 111, 106520 (2019)
198.
Journal Article
Mellan, T. A.; Duff, A. I.; Grabowski, B.; Finnis, M. W.: Fast anharmonic free energy method with an application to vacancies in ZrC. Physical Review B 100 (2), 024303 (2019)
199.
Journal Article
Tehranchi, A.; Curtin, W. A.: The role of atomistic simulations in probing hydrogen effects on plasticity and embrittlement in metals. Engineering Fracture Mechanics 216, 106502 (2019)
200.
Journal Article
Friák, M.; Buršíková, V.; Pizúrová, N.; Pavlů, J.; Jirásková, Y.; Homola, V.; Miháliková, I.; Slávik, A.; Holec, D.; Všianská, M. et al.; Koutná, N.; Fikar, J.; Janičkovič, D.; Šob, M.; Neugebauer, J.: Elasticity of phases in Fe–Al–Ti superalloys: Impact of atomic order and anti-phase boundaries. Crystals 9 (6), 299 (2019)
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