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
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.
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页数:18
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共 85 条
[1]   FATIGUE HARDENING IN ALLOYS OF LOW STACKING-FAULT ENERGY [J].
AVERY, DH ;
BACKOFEN, WA .
ACTA METALLURGICA, 1963, 11 (07) :653-&
[2]   MODIFIED EMBEDDED-ATOM POTENTIALS FOR CUBIC MATERIALS AND IMPURITIES [J].
BASKES, MI .
PHYSICAL REVIEW B, 1992, 46 (05) :2727-2742
[3]   The pre-wetting transition at antiphase boundaries:: an atomistic modeling study of Ni3Al [J].
Becker, Chandler Amiss ;
Mishin, Yuri ;
Boettinger, William J. .
JOURNAL OF MATERIALS SCIENCE, 2008, 43 (11) :3873-3880
[4]   AN ATOM PROBE INVESTIGATION OF THE ROLE OF RHENIUM ADDITIONS IN IMPROVING CREEP RESISTANCE OF NI-BASE SUPERALLOYS [J].
BLAVETTE, D ;
CARON, P ;
KHAN, T .
SCRIPTA METALLURGICA, 1986, 20 (10) :1395-1400
[5]   Development of a diffusion mobility database for Ni-base superalloys [J].
Campbell, CE ;
Boettinger, WJ ;
Kattner, UR .
ACTA MATERIALIA, 2002, 50 (04) :775-792
[6]   STACKING-FAULT ENERGY OF NICKEL [J].
CARTER, CB ;
HOLMES, SM .
PHILOSOPHICAL MAGAZINE, 1977, 35 (05) :1161-1172
[7]   First-principle calculation of APB energy in Ni-based binary and ternary alloys [J].
Chandran, Mahesh ;
Sondhi, S. K. .
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2011, 19 (02)
[8]   Investigation of interfacial segregation at antiphase boundaries in a ternary alloy 84.8Ni-12.8Al-2.4Ta [J].
Chen, CY ;
Schäublin, R ;
Stobbs, WM .
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2003, 360 (1-2) :356-364
[9]   A first-principles survey of γ/γ′ interface strengthening by alloying elements in single crystal Ni-base superalloys [J].
Chen, K ;
Zhao, LR ;
Tse, JS .
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2004, 365 (1-2) :80-84
[10]   INVESTIGATION OF THE EFFECTS OF BORON ON NI3AL GRAIN-BOUNDARIES BY ATOMISTIC SIMULATIONS [J].
CHEN, SP ;
VOTER, AF ;
ALBERS, RC ;
BORING, AM ;
HAY, PJ .
JOURNAL OF MATERIALS RESEARCH, 1990, 5 (05) :955-970