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Atom–atom force field for simulation of zirconia bulk, nanosheets and nanotubes

  • Published:2017-03-27 Issue:12 Volume:43 Page:886-899
  • ISSN:0892-7022
  • Container-title:Molecular Simulation
  • language:en
  • Short-container-title:Molecular Simulation

Author:

Bandura Andrei V.1,Lukyanov Sergey I.1,Evarestov Robert A.1

Affiliation:

1. Institute of Chemistry, St. Petersburg State University, St. Petersburg, Russia

Funder

Russian Foundation for Basic Research

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modelling and Simulation,Information Systems,General Chemistry

Cited by 7 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. Empirical interatomic potentials for ZrO2 and YSZ polymorphs: Application to a tetragonal ZrO2 grain boundary;Acta Materialia;2024-01

2. Molecular Dynamics Approach to the Physical Mixture of In2O3 and ZrO2: Defect Formation and Ionic Diffusion;International Journal of Molecular Sciences;2023-01-26

3. SHI induced tetragonal tracks in natural zirconia;Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms;2020-06

4. First-Principles Simulations of Bulk Crystal and Nanolayer Properties;Theoretical Modeling of Inorganic Nanostructures;2020

5. Binary Oxides of Transition Metals: ZnO, TiO$$_2$$, ZrO$$_2$$, HfO$$_2$$;Theoretical Modeling of Inorganic Nanostructures;2020
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