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Mechanical Properties of Chemically Modified Clay.

Publication ,  Journal Article
Gusmão, MSS; Gopal, P; Siloi, I; Curtarolo, S; Fornari, M; Nardelli, MB
Published in: Scientific reports
September 2019

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.

Duke Scholars

Published In

Scientific reports

DOI

EISSN

2045-2322

ISSN

2045-2322

Publication Date

September 2019

Volume

9

Issue

1

Start / End Page

13698
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Gusmão, M. S. S., Gopal, P., Siloi, I., Curtarolo, S., Fornari, M., & Nardelli, M. B. (2019). Mechanical Properties of Chemically Modified Clay. Scientific Reports, 9(1), 13698. https://doi.org/10.1038/s41598-019-49972-7
Gusmão, Marta S. S., Priya Gopal, Ilaria Siloi, Stefano Curtarolo, Marco Fornari, and Marco Buongiorno Nardelli. “Mechanical Properties of Chemically Modified Clay.Scientific Reports 9, no. 1 (September 2019): 13698. https://doi.org/10.1038/s41598-019-49972-7.
Gusmão MSS, Gopal P, Siloi I, Curtarolo S, Fornari M, Nardelli MB. Mechanical Properties of Chemically Modified Clay. Scientific reports. 2019 Sep;9(1):13698.
Gusmão, Marta S. S., et al. “Mechanical Properties of Chemically Modified Clay.Scientific Reports, vol. 9, no. 1, Sept. 2019, p. 13698. Epmc, doi:10.1038/s41598-019-49972-7.
Gusmão MSS, Gopal P, Siloi I, Curtarolo S, Fornari M, Nardelli MB. Mechanical Properties of Chemically Modified Clay. Scientific reports. 2019 Sep;9(1):13698.

Published In

Scientific reports

DOI

EISSN

2045-2322

ISSN

2045-2322

Publication Date

September 2019

Volume

9

Issue

1

Start / End Page

13698