Data on A parametric temperature dependent potential for β-PbF2: A numerical investigation by molecular dynamics
Author:
Funder
Departamento Administrativo de Ciencia, Tecnología e Innovación
Publisher
Elsevier BV
Subject
Multidisciplinary
Reference12 articles.
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3. Parametrically temperature-dependent potential for molecular dynamics simulation of uranium dioxide properties;Nagornov;Int. J. Comput. Theor. Chem.,2013
4. Influence of dislocation density on the pop-in behavior and indentation size effect in CaF2 single crystals: experiments and molecular dynamics simulations;Lodes;Acta Mater.,2011
5. High-pressure phases of group-II difluorides: polymorphism and superionicity;Nelson;Phys. Rev. B,2017
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1. Ab initio molecular dynamics simulation of the superionic state in Pb<sub>0.78</sub>Sr<sub>0.19</sub>K<sub>0.03</sub>F<sub>1.97</sub> solid solution: fluoride sublattice behaviour;Кристаллография;2024-07-19
2. Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice;Crystallography Reports;2024-04
3. Temperature-dependent potential for the molecular dynamics of the superionic conductor β-PbF2;Heliyon;2022-03
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