Communication: Pressure fluctuations in isotropic solids and fluids

Abstract : Comparing isotropic solids and fluids at either imposed volume or pressure, we investigate various correlations of the instantaneous pressure and its ideal and excess contributions. Focusing on the compression modulus K, it is emphasized that the stress fluctuation representation of the elastic moduli may be obtained directly (without a microscopic displacement field) by comparing the stress fluctuations in conjugated ensembles. This is made manifest by computing the Rowlinson stress fluctuation expression K-row of the compression modulus for NPT-ensembles. It is shown theoretically and numerically that K-row vertical bar P = P-id(2 - P-id/K) with P-id being the ideal pressure contribution.
Keywords : Elastic-constants
Type de document :
Article dans une revue
Journal of Chemical Physics, American Institute of Physics, 2013, 138 (19), 〈10.1063/1.4807305〉
Liste complète des métadonnées

https://hal.univ-lorraine.fr/hal-01517136
Contributeur : Lcp-A2mc Ul <>
Soumis le : mardi 2 mai 2017 - 16:59:02
Dernière modification le : jeudi 4 octobre 2018 - 01:21:26

Lien texte intégral

Identifiants

Citation

J. P. Wittmer, H. Xu, P. Polinska, F. Weysser, J. Baschnagel. Communication: Pressure fluctuations in isotropic solids and fluids. Journal of Chemical Physics, American Institute of Physics, 2013, 138 (19), 〈10.1063/1.4807305〉. 〈hal-01517136〉

Partager

Métriques

Consultations de la notice

40