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Home » Institute » Departments & Research Groups » Atomistic Modelling and Simulation » Atomistic Simulation of Structural and Phase Stability » ASPS Publications

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  • J. Jenke, A. Subramanyam, M. Densow et al. Electronic structure based descriptor for characterizing local atomic environments. Physical Review B, 98, 144102, (2018)
  • M. Markl, A. Müller, N. Ritter et al. Development of single-crystal Ni-base superalloys based on multi-criteria numerical optimization and efficient use of refractory elements. Metallurgical and Materials Transactions A, 49, 4134-4145, (2018)
  • J. Möller, M. Mrovec, I. Bleskov et al. {110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials, 2, 093606, (2018)
  • J. Albina, A. Marusczyk, T. Hammerschmidt et al. Finite-temperature property-maps of Li-Mn-Ni-O cathode materials from ab initio calculations. Journal of Materials Chemistry A, 6, 5687-5694, (2018)
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