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2015
- R. Drautz, T. Hammerschmidt, M. Čák et al. Bond-order potentials: Derivation and parameterization for refractory elements. Modelling and Simulation in Materials Science and Engineering, 23, 074004, (2015)
- J. Koßmann, T. Hammerschmidt, S. Maisel et al. Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L12-Co3Al. Intermetallics, 64, 44-50, (2015)
- J. Koßmann, C. H. Zenk, I. Lopez-Galilea et al. Microsegregation and precipitates of an as-cast Co-based superalloy - microstructural characterization and phase stability modelling. Journal of Materials Science, 50, 6329-6338, (2015)
- A. Katre. Modelling thermal transport in nanostructured materials. PhD Thesis, Ruhr-Universität Bochum, (2015)
- T. Chakraborty, A. Hens, S. Kulashrestha et al. Calculation of diffusion coefficient of long chain molecules using molecular dynamics. Physica E, 69, 371-377, (2015)
- J. Frenzel, A. Wieczorek, I. Opahle et al. On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Ti-based shape memory alloys. Acta Materialia, 90, 213-231, (2015)
- A. Ladines. Influence of light elements on precipitates of complex phases in steel. PhD Thesis, Ruhr-Universität Bochum, (2015)
- C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz et al. Parallel bond order potentials for materials science simulations. Proceedings of the 4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, (2015)
- A. Ladines, T. Hammerschmidt, R. Drautz. Structural stability of Fe-based topologically close-packed phases. Intermetallics, 59, 59-67, (2015)
- S. Bhattacharya, N. Gunda, R. Stern et al. Achieving optimum carrier concentrations in p-doped SnS thermoelectrics. Physical Chemistry Chemical Physics, 17, 9161-9166, (2015)
- T. Chakraborty, J. Rogal, R. Drautz. Martensitic transformation between competing phases in Ti-Ta alloys: A solid-state nudged elastic band study. Journal of Physics: Condensed Matter, 27, 115401, (2015)
- R. Chmielowski, D. Pere, C. Bera et al. Theoretical and experimental investigations of the thermoelectric properties of Bi2S3. Journal of Applied Physics, 117, 125103, (2015)
- M. Ford, D. Pettifor, R. Drautz. Non-collinear magnetism with analytic bond-order potentials. Journal of Physics: Condensed Matter, 27, 086002, (2015)
- J. Gehrmann, D. Pettifor, A. Kolmogorov et al. Reduced tight-binding models for elemental Si and N, and ordered binary Si-N systems. Physical Review B, 91, 054109, (2015)
- A. Katre, A. Togo, I. Tanaka et al. First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides. Journal of Applied Physics, 117, 045102, (2015)
- P. Wollgramm, H. Buck, K. Neuking et al. On the role of Re in the stress and temperature dependence of creep of Ni-base single crystal superalloys. Materials Science and Engineering A, 628, 382-395, (2015)
- X. Zhang, T. Hickel, J. Rogal et al. Structural transformations among austenite, ferrite and cementite in Fe-C alloys: A unified theory based on ab initio simulations. Acta Materialia, 99, 281-289, (2015)