Modified embedded-atom method interatomic potentials for the Ni-Co binary and the Ni-Al-Co ternary systems

被引：39

作者：

Kim, Young-Kwang ^{[1
]}

Jung, Woo-Sang ^{[2
]}

Lee, Byeong-Joo ^{[1
]}

机构：

[1] Pohang Univ Sci & Technol POSTECH, Dept Mat Sci & Engn, Pohang 790784, South Korea

[2] Korea Inst Sci & Technol, High Temp Energy Mat Res Ctr, Seoul 136791, South Korea

来源：

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING | 2015年 / 23卷 / 05期

关键词：

modified embedded-atom method; atomistic simulation; Ni-based superalloys; Ni-Al-Co; MISFIT DISLOCATION NETWORKS; SINGLE-CRYSTAL SUPERALLOY; BOUNDARY SELF-DIFFUSION; STACKING-FAULT ENERGIES; NICKEL-BASE SUPERALLOYS; ALLOYING ELEMENTS; GRAIN-BOUNDARY; 1ST-PRINCIPLES CALCULATIONS; GAMMA/GAMMA' INTERFACE; ATOMISTIC SIMULATIONS;

D O I：

10.1088/0965-0393/23/5/055004

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页数：18

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