Deformation twinning and the role of amino acids and magnesium in calcite hardness from molecular simulation-Reference-Cited by-同舟云学术

Deformation twinning and the role of amino acids and magnesium in calcite hardness from molecular simulation

Published:2015 Issue:31 Volume:17 Page:20178-20184
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Côté A. S.¹²³⁴,Darkins R.¹²³⁴^ORCID,Duffy D. M.¹²³⁴

Affiliation:

1. Department of Physics & Astronomy

2. University College London

3. London WC1E 6BT

4. UK

Abstract

We employ classical molecular dynamics to calculate elastic properties and to model the nucleation and propagation of deformation twins in calcite, both as a pure crystal and with magnesium and aspartate inclusions.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP03370E

Reference48 articles.

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