Kim, Young-Kwang Jung, Woo-Sang Lee, Byeong-Joo 2024-01-20T06:34:32Z 2024-01-20T06:34:32Z 2021-09-04 2015-07 0965-0393 https://pubs.kist.re.kr/handle/201004/125296 Interatomic potentials for the Ni-Co binary and Ni-Al-Co ternary systems have been developed on the basis of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials describe structural, thermodynamic, deformation and defect properties of solid solution phases or compound phases in reasonable agreements with experiments or first-principles calculations. The results demonstrate the transferability of the potentials and their applicability to large-scale atomistic simulations to investigate the effect of an alloying element, cobalt, on various microstructural factors related to mechanical properties of Ni-based superalloys on an atomic scale. English IOP PUBLISHING LTD MISFIT DISLOCATION NETWORKS SINGLE-CRYSTAL SUPERALLOY BOUNDARY SELF-DIFFUSION STACKING-FAULT ENERGIES NICKEL-BASE SUPERALLOYS ALLOYING ELEMENTS GRAIN-BOUNDARY 1ST-PRINCIPLES CALCULATIONS GAMMA/GAMMA&apos INTERFACE ATOMISTIC SIMULATIONS Modified embedded-atom method interatomic potentials for the Ni-Co binary and the Ni-Al-Co ternary systems Article 10.1088/0965-0393/23/5/055004 1 MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, v.23, no.5 MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 23 5 scie scopus 000356289300004 2-s2.0-84935864017 Materials Science, Multidisciplinary Physics, Applied Materials Science Physics Article MISFIT DISLOCATION NETWORKS SINGLE-CRYSTAL SUPERALLOY BOUNDARY SELF-DIFFUSION STACKING-FAULT ENERGIES NICKEL-BASE SUPERALLOYS ALLOYING ELEMENTS GRAIN-BOUNDARY 1ST-PRINCIPLES CALCULATIONS GAMMA/GAMMA&apos INTERFACE ATOMISTIC SIMULATIONS modified embedded-atom method atomistic simulation Ni-based superalloys Ni-Al-Co