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Ultimate mechanical properties of enstatite.

ABSTRACT: The ultimate mechanical properties of MgSiO₃ orthoenstatite (OEN), as characterized here by the ideal strengths, have been calculated under tensile and shear loadings using first-principles calculations. Both ideal tensile strength (ITS) and shear strength (ISS) are computed by applying homogeneous strain increments along high-symmetry directions ([100], [010], and [001]) and low index shear planes ((100), (010), and (001)) of the orthorhombic lattice. We show that the ultimate mechanical properties of OEN are highly anisotropic during tensile loading, with ITS ranging from 4.5 GPa along [001] to 8.7 GPa along [100], and quite isotropic during the shear loading with ISS ranging from 7.4 to 8.9 GPa. During tensile test along [100] and [001], a modified structure close to OEN has been found. This modified structure is more stable than OEN under stress (or strain). We have characterized its elastic and ultimate properties under tensile loading. With ITS ranging from 7.6 GPa along [010] to 25.6 GPa along [001], this modified structure appears to be very anisotropic with exceptional strength along [001].

Supplementary information

The online version contains supplementary material available at 10.1007/s00269-022-01206-5.

SUBMITTER: Gouriet K

PROVIDER: S-EPMC9276559 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature

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Ultimate mechanical properties of enstatite.

Gouriet Karine K Roussel Pascal P Carrez Philippe P Cordier Patrick P

Physics and chemistry of minerals 20220711 8

The ultimate mechanical properties of MgSiO<sub>3</sub> orthoenstatite (OEN), as characterized here by the ideal strengths, have been calculated under tensile and shear loadings using first-principles calculations. Both ideal tensile strength (ITS) and shear strength (ISS) are computed by applying homogeneous strain increments along high-symmetry directions ([100], [010], and [001]) and low index shear planes ((100), (010), and (001)) of the orthorhombic lattice. We show that the ultimate mechan ...[more]

PMID: 35845550

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Ultimate mechanical properties of enstatite.

Supplementary information

Publications

Ultimate mechanical properties of enstatite.

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