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Anisotropy and directional elastic behavior data obtained from the second-order elastic constants of portlandite Ca(OH)₂ and brucite Mg(OH)₂.

ABSTRACT: This article reports data on the anisotropy and directional elastic behavior, namely Young?s modulus E, linear compressibility ?, shear modulus ?, Poisson?s ratio ? and wave velocities V_s1, V_s2 and V_p, of brucite (magnesium hydroxide, Mg(OH)₂) and portlandite (calcium hydroxide, Ca(OH)₂), calculated from their second order elastic constants at different hydrostatic compressions (Ulian and Valdrè, in press). The dataset has been obtained by ab initio quantum mechanical means, by employing density functional theory methods, in particular the B3LYP hybrid functional, all-electron Gaussian-type orbitals basis sets and a correction to take into account the effects of dispersive forces.

SUBMITTER: Ulian G

PROVIDER: S-EPMC6234275 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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Anisotropy and directional elastic behavior data obtained from the second-order elastic constants of portlandite Ca(OH)2 and brucite Mg(OH)2.

Ulian Gianfranco G Valdrè Giovanni G

Data in brief 20181030

This article reports data on the anisotropy and directional elastic behavior, namely Young׳s modulus E, linear compressibility β, shear modulus μ, Poisson׳s ratio ν and wave velocities Vs1, Vs2 and Vp, of brucite (magnesium hydroxide, Mg(OH)2) and portlandite (calcium hydroxide, Ca(OH)2), calculated from their second order elastic constants at different hydrostatic compressions (Ulian and Valdrè, in press). The da ...[more]

PMID: 30456261

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