Interatomic force fields for zirconium based on the embedded atom method and the tabulated Gaussian Approximation Potential-Reference-Cited by-同舟云学术

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Interatomic force fields for zirconium based on the embedded atom method and the tabulated Gaussian Approximation Potential

Published:2024-01 Issue: Volume:233 Page:112730
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Luo Yu,Byggmästar Jesper,Daymond Mark R.^ORCID,Béland Laurent Karim^ORCID

Funder

Natural Sciences and Engineering Research Council of Canada

University Network of Excellence in Nuclear Engineering

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference53 articles.

1. Semiempirical, quantum mechanical calculation of hydrogen embrittlement in metals;Daw;Phys. Rev. Lett.,1983

2. Relationship between defect energies and embedded-atom-method parameters;Johnson;Phys. Rev. B,1988

3. Development of an interatomic potential for the simulation of phase transformations in zirconium;Mendelev;Phil. Mag. Lett.,2007

4. Interatomic potentials for irradiation-induced defects in iron;Alexander;J. Nucl. Mater.,2020

5. Gaussian approximation potentials: The accuracy of quantum mechanics, without the electrons;Bartók;Phys. Rev. Lett.,2010

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