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Pressure, relaxation volume, and elastic interactions in charged simulation cells

Fabien Bruneval 1 Céline Varvenne 2 Jean-Paul Crocombette 1 Emmanuel Clouet 1
1 SRMP - Service de recherches de métallurgie physique
2 EPFL - Ecole Polytechnique Fédérale de Lausanne
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https://hal-cea.archives-ouvertes.fr/cea-03188722
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Submitted on : Friday, April 2, 2021 - 1:34:56 PM
Last modification on : Monday, December 13, 2021 - 9:14:39 AM

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Fabien Bruneval, Céline Varvenne, Jean-Paul Crocombette, Emmanuel Clouet. Pressure, relaxation volume, and elastic interactions in charged simulation cells. Physical Review B, American Physical Society, 2015, 91 (2), ⟨10.1103/PhysRevB.91.024107⟩. ⟨cea-03188722⟩

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