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Title: Senary refractory high-entropy alloy HfNbTaTiVZr

Abstract

Discovery of new single-phase high-entropy alloys (HEAs) is important to understand HEA formation mechanisms. The present study reports computational design and experimental validation of a senary HEA, HfNbTaTiVZr, in a body-centered cubic structure. The phase diagrams and thermodynamic properties of this senary system were modeled using the CALPHAD method. Its atomic structure and diffusion constants were studied using ab initio molecular dynamics simulations. Here, the microstructure of the as-cast HfNbTaTiVZr alloy was studied using X-ray diffraction and scanning electron microscopy, and the microsegregation in the as-cast state was found to qualitatively agree with the solidification predictions from CALPHAD. Supported by both simulation and experimental results, the HEA formation rules are discussed.

Authors:
 [1];  [2];  [3];  [2]
  1. National Energy Technology Lab. (NETL), Albany, OR (United States)
  2. Louisiana State Univ., Baton Rouge, LA (United States)
  3. Southern Univ. and A&M College, Baton Rouge, LA (United States)
Publication Date:
Research Org.:
National Energy Technology Lab. (NETL), Albany, OR (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1338299
Report Number(s):
CONTR-PUB-147
Journal ID: ISSN 1073-5623; PII: 3105
Grant/Contract Number:  
FE0004000
Resource Type:
Accepted Manuscript
Journal Name:
Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science
Additional Journal Information:
Journal Volume: 47; Journal Issue: 7; Journal ID: ISSN 1073-5623
Publisher:
ASM International
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; high-entropy alloys; CALPHAD; phase diagram; thermodynamics; segregation; hardness

Citation Formats

Gao, Michael C., Zhang, B., Yang, S., and Guo, S. M. Senary refractory high-entropy alloy HfNbTaTiVZr. United States: N. p., 2015. Web. doi:10.1007/s11661-015-3105-z.
Gao, Michael C., Zhang, B., Yang, S., & Guo, S. M. Senary refractory high-entropy alloy HfNbTaTiVZr. United States. doi:10.1007/s11661-015-3105-z.
Gao, Michael C., Zhang, B., Yang, S., and Guo, S. M. Thu . "Senary refractory high-entropy alloy HfNbTaTiVZr". United States. doi:10.1007/s11661-015-3105-z. https://www.osti.gov/servlets/purl/1338299.
@article{osti_1338299,
title = {Senary refractory high-entropy alloy HfNbTaTiVZr},
author = {Gao, Michael C. and Zhang, B. and Yang, S. and Guo, S. M.},
abstractNote = {Discovery of new single-phase high-entropy alloys (HEAs) is important to understand HEA formation mechanisms. The present study reports computational design and experimental validation of a senary HEA, HfNbTaTiVZr, in a body-centered cubic structure. The phase diagrams and thermodynamic properties of this senary system were modeled using the CALPHAD method. Its atomic structure and diffusion constants were studied using ab initio molecular dynamics simulations. Here, the microstructure of the as-cast HfNbTaTiVZr alloy was studied using X-ray diffraction and scanning electron microscopy, and the microsegregation in the as-cast state was found to qualitatively agree with the solidification predictions from CALPHAD. Supported by both simulation and experimental results, the HEA formation rules are discussed.},
doi = {10.1007/s11661-015-3105-z},
journal = {Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science},
number = 7,
volume = 47,
place = {United States},
year = {2015},
month = {9}
}

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Cited by: 7 works
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    Works referencing / citing this record:

    Microstructure and Mechanical Properties of (TiZrHf)50(NiCoCu)50 High Entropy Alloys
    journal, July 2019