Journal Article (199)

41.
Journal Article
Swinburne, T. D.; Janssen, J.; Todorova, M.; Simpson, G.; Plechac, P.; Luskin, M.; Neugebauer, J.: Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond. Physical Review B 102 (10), 100101(R) (2020)
42.
Journal Article
Zhang, J.; Cann, J. L.; Maisel, S.; Qu, K.; Plancher, E.; Springer, H.; Povoden-Karadeniz, E.; Gao, P.; Ren, Y.; Grabowski, B. et al.; Tasan, C. C.: Design of a V–Ti–Ni alloy with superelastic nano-precipitates. Acta Materialia 196, pp. 710 - 722 (2020)
43.
Journal Article
Esakkiraja, N.; Gupta, A.; Jayaram, V.; Hickel, T.; Divinski, S. V.; Paul, A.: Diffusion, defects and understanding the growth of a multicomponent interdiffusion zone between Pt-modified B2 NiAl bond coat and single crystal superalloy. Acta Materialia 195, pp. 35 - 49 (2020)
44.
Journal Article
Rogal, L.; Ikeda, Y.; Lai, M.; Körmann, F.; Kalinowska, A.; Grabowski, B.: Design of a dual-phase hcp-bcc high entropy alloy strengthened by ω nanoprecipitates in the Sc–Ti–Zr–Hf–Re system. Materials and Design 192, 108716 (2020)
45.
Journal Article
Zhang, X.; Wang, H.; Hickel, T.; Rogal, J.; Li, Y.; Neugebauer, J.: Mechanism of collective interstitial ordering in Fe–C alloys. Nature Materials 19, pp. 849 - 854 (2020)
46.
Journal Article
Mendive-Tapia, E.; Paudyal, D.; Petit, L.; Staunton, J. B.: First-order ferromagnetic transitions of lanthanide local moments in divalent compounds: An itinerant electron positive feedback mechanism and Fermi surface topological change. Physical Review B 101 (17), 174437 (2020)
47.
Journal Article
Zhu, L.-F.; Körmann, F.; Ruban, A. V.; Neugebauer, J.; Grabowski, B.: Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 101 (14), 144108 (2020)
48.
Journal Article
Mendive-Tapia, E.; Staunton, J. B.: Caloric effects around phase transitions in magnetic materials described by ab initio theory: The electronic glue and fluctuating local moments. Journal of Applied Physics 127 (11), 113903 (2020)
49.
Journal Article
Kies, F.; Ikeda, Y.; Ewald, S.; Schleifenbaum, J. H.; Hallstedt, B.; Körmann, F.; Haase, C.: Combined Al and C alloying enables mechanism-oriented design of multi-principal element alloys: Ab initio calculations and experiments. Scripta Materialia 178, pp. 366 - 371 (2020)
50.
Journal Article
Wu, X.; Li, Z.; Rao, Z.; Ikeda, Y.; Dutta, B.; Körmann, F.; Neugebauer, J.; Raabe, D.: Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys. Physical Review Materials 4 (3), 033601 (2020)
51.
Journal Article
Dutta, B.; Körmann, F.; Ghosh, S.; Sanyal, B.; Neugebauer, J.; Hickel, T.: Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 101 (9), 094201 (2020)
52.
Journal Article
Kürnsteiner, P.; Bajaj, P.; Gupta, A.; Wilms, M. B.; Weisheit, A.; Li, X.; Leinenbach, C.; Gault, B.; Jägle, E. A.; Raabe, D.: Control of thermally stable core-shell nano-precipitates in additively manufactured Al–Sc–Zr alloys. Additive Manufacturing 32, 100910 (2020)
53.
Journal Article
Sözen, H. I.; Hickel, T.; Neugebauer, J.: Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 68, 101731 (2020)
54.
Journal Article
Ishibashi, S.; Ikeda, Y.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys. Physical Review Materials 4 (2), 023608 (2020)
55.
Journal Article
Guo, W.; Su, J.; Lu, W.; Liebscher, C.; Kirchlechner, C.; Ikeda, Y.; Körmann, F.; Liu, X.; Xue, Y.; Dehm, G.: Dislocation-induced breakthrough of strength and ductility trade-off in a non-equiatomic high-entropy alloy. Acta Materialia 185, pp. 45 - 54 (2020)
56.
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)
57.
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)
58.
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)
59.
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)
60.
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)
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