Publications
X. Huang, R. Janisch, Partitioning of interstitial segregants during decohesion: a DFT case study of the Σ3 symmetric tilt grain boundary in ferritic steel Materials 12 2971 (2019) abstract
A. Ferrari, P. Kadletz, T. Chakraborty, et al. Reconciling experimental and theoretical data in the structural analysis of Ti-Ta shape memory alloys Shape Memory and Superelasticity 5 6-15 (2019) abstract
A. P. A. Subramanyam, A. Azócar Guzmán, S. Vincent, et al. Ab initio study of the combined effects of alloying elements and H on grain boundary cohesion in ferritic steels Metals 9 291 (2019) abstract
H. Ganesan, C. Teijeiro Barjas, G. Sutmann, Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres Computational Materials Science 155 439-449 (2018) abstract
H. Ganesan, C. Begau, G. Sutmann, MC/MD coupling for scale bridging simulations of solute segregation in solids: An application study Communications in Computer and Information Science 889 112-127 (2018) abstract
V.I. Razumovskiy, S. V. Divinski, L. Romaner, Solute segregation in Cu: DFT vs. experiment Acta Materialia 147 122-132 (2018) abstract
D. Gaertner, G. Wilde, S. V. Divinski, Grain boundary diffusion and segregation of 57Co in high-purity copper: Radiotracer measurements in B and C diffusion regimes Acta Materialia 127 407-415 (2017) abstract
L. Zhang, E. V. Danilova, I. Steinbach, et al. Diffuse-interface modelling of solute trapping in rapid solidification: predictions of the hyperbolic phase-field model and parabolic model with finite interface dissipation Acta Materialia 61 4155–4168 (2013) abstract
L. Zhang, I. Steinbach, Phase-field model with finite interface dissipation: extension to multi-component multi-phase alloys Acta Materialia 60 2702-2710 (2012) abstract
F. Otto, G. B. Viswanathan, E. Payton, et al. On the effect of grain boundary segregation on creep and creep rupture Acta Materialia 60 2982–2998 (2012) abstract
X. Pang, Z.Q. Liu, S.Q. Wang, et al. Effects of Bi segregation on the tensile properties of Cu/Cu3Sn(100) interface Microelectronics Reliability 51 2330-5 (2011) abstract
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