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2019
- I. Lopez-Galilea, B. Ruttert, J. He et al. Additive manufacturing of CMSX-4 Ni-base superalloy by selective laser melting: influence of processing parameters and heat treatment. Additive Manufacturing, 30, 100874, (2019)
- N. Wang. Atomistic modelling and simulations of magnetic transition metals. PhD Thesis, Ruhr-Univesität Bochum, (2019)
- S. Katnagallu, L. T. Stephenson, I. Mouton et al. Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics, 21, 123020, (2019)
- C. Sutton, L. M. Ghiringhelli, T. Yamamoto et al. Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials, 5, 111, (2019)
- A. Stamminger, B. Ziebarth, M. Mrovec et al. Ionic conductivity and its dependence on structural disorder in halogenated argyrodites Li6PS5X (X = Br, Cl, I). Chemistry of Materials, 31, 8673-8678, (2019)
- B. Bocklund, R. Otis, A. Egorov et al. ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu–Mg. MRS Communications: Artificial Intelligence Research Letter, 9, 618-627, (2019)
- J. Jenke. Automated parametrization and validation of simplified models of the interatomic interaction. PhD Thesis, Ruhr-Universität Bochum, (2019)
- T. Kalfhaus, M. Schneider, B. Ruttert et al. Repair of Ni-based single-crystal superalloys using vacuum plasma spray. Materials and Design, 168, 107656, (2019)
- C. Meid, M. Eggeler, P. Watermeyer et al. Stress-induced formation of TCP phases during high temperature low cycle fatigue loading of the single-crystal Ni-base superalloy ERBO/1. Acta Materialia, 168, 343-352, (2019)
- 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)
- N. Wang, T. Hammerschmidt, J. Rogal et al. Accelerating spin-space sampling by auxiliary spin dynamics and temperature-dependent spin-cluster expansion. Physical Review B, 99, 094402, (2019)
- C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz et al. Optimized parallel simulations of analytic bond-order potentials on hybrid shared/distributed memory with MPI and OpenMP. International Journal of High Performance Computing Applications, 33, 227-241, (2019)
- P. Wang, J. Koßmann, U. R. Kattner et al. Thermodynamic assessment of the Co-Ta system. Calphad, 64, 205-212, (2019)
- T. Hammerschmidt, B. Seiser, M. Ford et al. BOPfox program for tight-binding and analytic bond-order potential calculations. Computer Physics Communications, 235, 221-233, (2019)
- Y. Lysogorskiy, T. Hammerschmidt, J. Janssen et al. Transferability of interatomic potentials for molybdenum and silicon. Modelling and Simulation in Materials Science and Engineering, 27, 025007, (2019)