Zeitschriftenartikel (42)

21.
Zeitschriftenartikel
Surendralal, S.; Todorova, M.; Finnis, M. W.; Neugebauer, J.: First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 120 (24), 246801 (2018)
22.
Zeitschriftenartikel
Devi, P.; Singh, S.; Dutta, B.; Manna, K.; D'Souza, S. W.; Ikeda, Y.; Suard, E. Y.; Petr̂ïĉek, V.; Simon, P.; Werner, P. E. et al.; Chadhov, S.; Parkin, S. S. P.; Felser, C.; Pandey, D.: Adaptive modulation in the Ni2Mn1.4In0.6 magnetic shape-memory Heusler alloy. Physical Review B 97 (22), 224102 (2018)
23.
Zeitschriftenartikel
Hüter, C.; Shanthraj, P.; McEniry, E.; Spatschek, R. P.; Hickel, T.; Tehranchi, A.; Guo, X.; Roters, F.: Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 8 (6), 430, S. 1 - 16 (2018)
24.
Zeitschriftenartikel
Lymperakis, L.: Ab-initio study of boron incorporation and compositional limits at GaN and AlN (0001) surfaces. AIP Advances 8 (6), 065301 (2018)
25.
Zeitschriftenartikel
Rohwerder, M.; Schneider, J. M.; Grabowski, B.: Self-reduction for protection of metallic materials. Chernye Metally (6), S. 37 - 38 (2018)
26.
Zeitschriftenartikel
Zhang, X.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Calculating free energies of point defects from ab initio. Computational Materials Science 148, S. 249 - 259 (2018)
27.
Zeitschriftenartikel
Ektarawong, A.; Simak, S. I.; Alling, B.: Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles. Physical Review B 97 (17), 174104 (2018)
28.
Zeitschriftenartikel
Freysoldt, C.; Neugebauer, J.: First-principles calculations for charged defects at surfaces, interfaces, and two-dimensional materials in the presence of electric fields. Physical Review B 97 (20), 205425 (2018)
29.
Zeitschriftenartikel
Hickel, T.; Neugebauer, J.; McEniry, E.: Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 150, S. 53 - 58 (2018)
30.
Zeitschriftenartikel
Hadian, R.; Grabowski, B.; Finnis, M. W.; Neugebauer, J.: Migration mechanisms of a faceted grain boundary. Physical Review Materials 2 (4), 043601 (2018)
31.
Zeitschriftenartikel
Korbmacher, D.; von Pezold, J.; Brinckmann, S.; Neugebauer, J.; Hüter, C.; Spatschek, R. P.: Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 8 (4), 280 (2018)
32.
Zeitschriftenartikel
Barbero, N.; Holenstein, S.; Shang, T.; Shermadini, Z. G.; Lochner, F.; Eremin, I. M.; Wang, C.; Cao, G.; Khasanov, R.; Ott, H. R. et al.; Mesot, J.; Shiroka, T.: Pressure effects on the electronic properties of the undoped superconductor ThFeAsN. Physical Review B 97 (14), 140506 (2018)
33.
Zeitschriftenartikel
Ko, W.-S.; Grabowski, B.; Neugebauer, J.: Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles. Physical Review Materials 2 (3), 030601 (2018)
34.
Zeitschriftenartikel
Gharavi, M.; Armiento, R.; Alling, B.; Eklund, P.: Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds. Journal of Materials Science: Materials in Electronics 53 (6), S. 4294 - 4305 (2018)
35.
Zeitschriftenartikel
Ikeda, Y.; Körmann, F.; Dutta, B.; Carreras, A.; Seko, A.; Neugebauer, J.; Tanaka, I.: Temperature-dependent phonon spectra of magnetic random solid solutions. npj Computational Materials 4 (1), 7 (2018)
36.
Zeitschriftenartikel
Liebscher, C.; Yao, M.; Dey, P.; Lipińska-Chwalek, M.; Berkels, B.; Gault, B.; Hickel, T.; Herbig, M.; Mayer, J.; Neugebauer, J. et al.; Raabe, D.; Dehm, G.; Scheu, C.: Tetragonal fcc-Fe induced by κ-carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory. Physical Review Materials 2, 023804, S. 1 - 6 (2018)
37.
Zeitschriftenartikel
Katnagallu, S.; Dagan, M.; Parviainen, S.; Nematollahi, G. A.; Grabowski, B.; Bagot, P. A. J.; Rolland, N.; Neugebauer, J.; Raabe, D.; Vurpillot, F. et al.; Moody, M. P.; Gault, B.: Impact of local electrostatic field rearrangement on field ionization. Journal of Physics D: Applied Physics 51 (10), 105601, S. 1 - 10 (2018)
38.
Zeitschriftenartikel
Yoo, S.-H.; Todorova, M.; Neugebauer, J.: Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment. Physical Review Letters 120 (6), 066101 (2018)
39.
Zeitschriftenartikel
Mozafari, E.; Alling, B.; Belov, M. P.; Abrikosov, I. A.: Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture. Physical Review B 97 (3), 035152 (2018)
40.
Zeitschriftenartikel
Lymperakis, L.; Schulz, T.; Freysoldt, C.; Anikeeva, M.; Chen, Z.; Zheng, X.; Shen, B.; Chèze, C.; Siekacz, M.; Wang, X. et al.; Albrecht, M. R.; Neugebauer, J.: Elastically frustrated rehybridization: Origin of chemical order and compositional limits in InGaN quantum wells. Physical Review Materials 2 (1), 011601 (2018)
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