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Atomistic modeling for interfacial properties of Ni-Al-V ternary system

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Abstract

Interatomic potentials for Ni-Al-V ternary systems have been developed based on the second-nearest-neighbor modified embedded-atom method potential formalism. The potentials can describe various fundamental physical properties of the relevant materials in good agreement with experimental information. The potential is utilized for an atomistic computation of interfacial properties of Ni-Al-V alloys. It is found that vanadium atoms segregate on the γ-fcc/L12 interface and this segregation affects the interfacial properties. The applicability of the atomistic approach to an elaborate alloy design of advanced Ni-based superalloys through the investigation of the effect of alloying elements on interfacial properties is discussed.

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Authors and Affiliations

  1. College of Engineering, Zhejiang Normal University, Jinhua, 321004, China

    Wei-ping Dong

  2. Department of Materials Science and Engineering, Division of Advanced Nuclear Engineering, University of Science and Technology (POSTECH), Pohang, 790-784, Korea

    Byeong-Joo Lee

  3. Department of Materials Science and Engineering, State Key Laboratory of Solidification Processing, Northwestern Polytechnical University (NPU), Xi’an, 710072, China

    Zheng Chen

Authors
  1. Wei-ping Dong
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  2. Byeong-Joo Lee
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  3. Zheng Chen
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Correspondence to Wei-ping Dong.

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Dong, Wp., Lee, BJ. & Chen, Z. Atomistic modeling for interfacial properties of Ni-Al-V ternary system. Met. Mater. Int. 20, 423–429 (2014). https://doi.org/10.1007/s12540-014-3004-7

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  • DOI: https://doi.org/10.1007/s12540-014-3004-7

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