N-body potential for simulation of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si205.svg" display="inline" id="d1e4577"><mml:mi>α</mml:mi></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si206.svg" display="inline" id="d1e4582"><mml:mi>β</mml:mi></mml:math> phases of zirconium-Reference-Cited by-同舟云学术

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N-body potential for simulation of α and β phases of zirconium

Published:2024-02 Issue: Volume:235 Page:112806
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Vyazmin A.V.^ORCID,Lipnitskii A.G.,Kartamyshev A.I.^ORCID,Maksimenko V.N.,Poletaev D.O.^ORCID

Funder

Russian Science Foundation

Publisher

Elsevier BV

Reference89 articles.

1. Radiation-induced dislocation and growth behavior of zirconium and zirconium alloys – a review;Choi;Nucl. Eng. Technol.,2013

2. The development and applications of zirconium alloys;Northwood;Mater. Des.,1985

3. Error estimates for solid-state density-functional theory predictions: An overview by means of the ground-state elemental crystals;Lejaeghere;Crit. Rev. Solid State Mater. Sci.,2014

4. Ab initio based thermal property predictions at a low cost: An error analysis;Lejaeghere;Phys. Rev. B,2014

5. Is the error on first-principles volume predictions absolute or relative?;Lejaeghere;Comput. Mater. Sci.,2016

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The N-body interatomic potential for carbon: Influence of the precision of three-body interactions’ contribution on the accuracy of molecular dynamics simulations;Computational Materials Science;2024-06

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