Mechanical Properties of Chemically Modified Clay.

Published

Journal Article

Serpentine clay minerals are found in many geological settings. The rich diversity, both in chemical composition and crystal structure, alters the elastic behavior of clay rocks significantly, thus modifying seismic and sonic responses to shaley sequences. Computation of the elastic properties is a useful tool to characterize this diversity. In this paper we use first principles methods to compare the mechanical properties of lizardite Mg3(Si2O5)(OH)4, a polymorph of serpentine family, with the new compounds derived by substituting Mg ions with isovalent elements from different chemical groups. New compounds are first selected according to chemical and geometrical stability criteria, then full elastic tensors, bulk and shear modulii, and acoustic velocities are obtained. Overall, the new compounds have a lower anisotropy and are less resistant to mechanical deformation compared to the prototype, thus providing valuable information regarding chemical composition and mechanical properties in these systems.

Full Text

Duke Authors

Cited Authors

  • Gusmão, MSS; Gopal, P; Siloi, I; Curtarolo, S; Fornari, M; Nardelli, MB

Published Date

  • September 23, 2019

Published In

Volume / Issue

  • 9 / 1

Start / End Page

  • 13698 -

PubMed ID

  • 31548556

Pubmed Central ID

  • 31548556

Electronic International Standard Serial Number (EISSN)

  • 2045-2322

International Standard Serial Number (ISSN)

  • 2045-2322

Digital Object Identifier (DOI)

  • 10.1038/s41598-019-49972-7

Language

  • eng