Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields-Reference-Cited by-同舟云学术

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Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields

Published:2023-02-13 Issue:2 Volume:7 Page:
ISSN:2475-9953
Container-title:Physical Review Materials
language:en
Short-container-title:Phys. Rev. Materials

Author:

Zhong Anruo,Lapointe Clovis,Goryaeva Alexandra M.^ORCID,Baima Jacopo,Athènes Manuel^ORCID,Marinica Mihai-Cosmin^ORCID

Funder

Commissariat à l'Énergie Atomique et aux Énergies Alternatives

Euratom Research and Training Programme

Grand Équipement National De Calcul Intensif

Publisher

American Physical Society (APS)

Subject

Physics and Astronomy (miscellaneous),General Materials Science

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevMaterials.7.023802/fulltext

Reference95 articles.

1. Free-Energy Calculations in Materials Research

2. Modeling Materials

3. Understanding Anharmonicity in fcc Materials: From its Origin toab initioStrategies beyond the Quasiharmonic Approximation

4. Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond

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