English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse
  1. Item Summary / 
  2. View item

Item

ITEM ACTIONSEXPORT
 
 
DownloadE-Mail
 Local TagsRelease HistoryDetailsSummary
  B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys

Körmann, F., Kostiuchenko, T., Shapeev, A., & Neugebauer, J. (2021). B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials, 5(5): 053803. doi:10.1103/PhysRevMaterials.5.053803.

Item is

 

show all hide all

Basic

show hide
Item Permalink: https://hdl.handle.net/21.11116/0000-0009-02B9-4 Version Permalink: https://hdl.handle.net/21.11116/0000-0009-1A11-7
Genre: Journal Article

Files

show Files
hide Files
:
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys - PhysRevMaterials.5.pdf (Publisher version), 2MB
View   Save
File Permalink:
https://hdl.handle.net/21.11116/0000-0009-02BC-1
Name:
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys - PhysRevMaterials.5.pdf
Description:
Open Access
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
View
Copyright Date:
2021
Copyright Info:
The Authors
License:
https://creativecommons.org/licenses/by/4.0/

Locators

show

Creators

show
hide
 Creators:
Körmann, Fritz1, 2, Author           
Kostiuchenko, Tatiana3, Author           
Shapeev, Alexander3, Author           
Neugebauer, Jörg4, Author           
Affiliations:
1Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
2Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft, The Netherlands, ou_persistent22              
3Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Nobel St. 3, Moscow, 143026, Russian Federation, ou_persistent22              
4Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              

Content

show
hide
Free keywords: Aluminum alloys; Calculations; Entropy; High-entropy alloys; Monte Carlo methods; Niobium alloys; Phase stability; Titanium alloys, Body-centered cubic; Configurational entropy; Elevated temperature; First-principles calculation; Interatomic potential; Site disorder; Site preferences; Sub-lattices, Vanadium alloys
 Abstract: The phase stability of a bcc AlNbTiV high-entropy alloy at elevated temperatures is studied using a combination of machine-learning interatomic potentials, first-principles calculations, and Monte Carlo simulations. The simulations reveal a B2 ordering below about 1700 K, mainly caused by a strong site preference of Al and Ti. A much weaker site preference for V and Nb is observed, strongly affecting the alloys total configurational entropy. The underlying mechanisms of the B2 phase stability as opposed to the random solid solution are discussed in terms of a high persisting configurational entropy of the B2 phase due to strong sublattice site disorder. © 2021 authors.

Details

show
hide
Language(s): eng - English
 Dates: 2021-05-24
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevMaterials.5.053803
 Degree: -

Event

show

Legal Case

show

Project information

show hide
Project name : DFG SPP 2006 and Collaborative German Research Foundation DFG and Russian Foundation for Basic Research RFBR grant (No. DFG KO 5080/3-1 and RFBR Grant No. 20-53-12012) NWO/STW (VIDI Grant No. 15707)
Grant ID : -
Funding program : -
Funding organization : -

Source 1

show
hide
Title: Physical Review Materials
  Abbreviation : Phys. Rev. Mater.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: College Park, MD : American Physical Society
Pages: 6 Volume / Issue: 5 (5) Sequence Number: 053803 Start / End Page: - Identifier: ISSN: 2475-9953
CoNE: https://pure.mpg.de/cone/journals/resource/2475-9953