The N-body interatomic potentials for molecular dynamics simulations of diffusion in C15 Cr<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si94.svg" display="inline" id="d1e3096"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>Ta Laves phase-Reference-Cited by-同舟云学术

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The N-body interatomic potentials for molecular dynamics simulations of diffusion in C15 Cr2Ta Laves phase

Published:2023-01 Issue: Volume:216 Page:111841
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Poletaev D.O.^ORCID,Lipnitskii A.G.,Maksimenko V.N.,Kolobov Yu.R.^ORCID,Beresnev A.G.,Gusakov M.S.

Funder

Russian Academy of Sciences

Russian Science Foundation

Publisher

Elsevier BV

Subject

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

Reference53 articles.

1. Thermodynamic assessment of the Cr-Ta system;Dupin;J. Phase Equilib.,1993

2. Re-modeling of laves phases in the Cr-Nb and Cr-Ta systems using first-principles results;Pavl;Calphad: Comput. Coupling Phase Diagr. Thermochem.,2009

3. Thermodynamic re-assessment of the binary Cr-Ta system down to 0 K;Jiang;Int. J. Mater. Res.,2019

4. Microstructural evolution and interfacial crystallography in Cr–Cr2Ta;Bhowmik;Intermetallics,2012

5. Effect of mo, al and si on the microstructure and mechanical properties of Cr–Cr 2 Ta based alloys;Bhowmik;J. Alloys Compd.,2012

Cited by 3 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. Simulation of ordering and diffusion in CrxMoNbTaVW alloys within the framework of the N-body approach when specifying interatomic interactions;Proceedings of the Southwest State University. Series: Engineering and Technology;2024-07-01

2. 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

3. Molecular dynamics simulation of diffusion along general high-angle grain boundaries in copper and vanadium;LETT MATER;2023

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