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2009
- T. Hammerschmidt, R. Drautz, D. G. Pettifor. Atomistic modelling of materials with bond-order potentials. International Journal of Materials Research, 100, 1479-1487, (2009)
- L. Ferrighi, B. Hammer, G. Madsen. 2D-3D transition for cationic and anionic gold clusters: A kinetic energy density functional study. Journal of the American Chemical Society, 131, 10605-10609, (2009)
- P. Kratzer, T. Hammerschmidt. Atomic processes in molecular beam epitaxy on strained InAs(137): a density-functional theory study. Physical Review B, 80, 035324, (2009)
- R. Garg, A. Hüe, V. Haxha et al. Tunability of the piezoelectric fields in strained III-V semiconductors. Applied Physics Letters, 95, 041912,1-3, (2009)
- Y. Chen, T. Hammerschmidt, D. G. Pettifor et al. Influence of vibrational entropy on structural stability of Nb-Si and Mo-Si systems at elevated temperatures. Acta Materialia, 57, 2657-2664 , (2009)
- F. Körmann, A. Dick, T. Hickel et al. Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations. Physical Review B, 79, 184406-184411, (2009)
- R. Garg, V. Haxha, M. A. Migliorato et al. Strain dependence of piezoelectric coefficients for pseudomorphically grown semiconductors. Microelectronics Journal, 40, 601-603, (2009)
- T. Hickel, A. Dick, B. Grabowski et al. Steel design from fully parameter-free ab initio computer simulations. Steel Research International, 80, 4-8, (2009)
- T. Hammerschmidt, R. Drautz. Bond-order potentials for bridging the electronic to atomistic modelling hierarchies. Multiscale Simulation Methods in Molecular Science, 229-246, (2009)