Temperature induced twinning in aragonite: transmission electron microscopy experiments and ab initio calculations-Reference-Cited by-同舟云学术

Temperature induced twinning in aragonite: transmission electron microscopy experiments and ab initio calculations

Published:2018-10-16 Issue:2 Volume:234 Page:79-84
ISSN:2196-7105
Container-title:Zeitschrift für Kristallographie - Crystalline Materials
language:en
Short-container-title:

Author:

Gavryushkin Pavel N.¹²,Rečnik Aleksander³,Daneu Nina⁴,Sagatov Nursultan¹⁵,Belonoshko Anatoly B.⁶,Popov Zakhar I.⁷,Ribić Vesna⁸,Litasov Konstantin D.¹⁵

Affiliation:

1. Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences , Prosp. Acad. Koptyuga 3 , 630090 Novosibirsk , Russia

2. Novosibirsk State University , Pirogova 2 , 630090 Novosibirsk , Russia , E-mail:

3. Department for Nanostructured Materials , Jožef Stefan Institute , Jamova 39 , 1000 Ljubljana , Slovenia

4. Department for Advanced Materials , Jožef Stefan Institute , Jamova 39 , 1000 Ljubljana , Slovenia

5. Novosibirsk State University , Pirogova 2 , 630090 Novosibirsk , Russia

6. Department of Physics , AlbaNova University Center, Royal Institute of Technology (KTH) , 10691 Stockholm , Sweden

7. National University of Science and Technology MISIS , Leninskiy pr. 4 , 119049 Moscow , Russian Federation

8. Institute for Multidisciplinary Research, Department of Materials Science , University of Belgrade , Kneza Višeslava 1 , 11000 Belgrade , Serbia

Abstract

Abstract The microstructure of aragonite, one of the main bio-mineral and component of bio-inspired materials, was described in numerous investigations. Using transmission electron microscopy (TEM), for the first time we show the effect of temperature on aragonite microstructure. The local increase of (0.5 0.5 0) reflections intensities and appearance of satellite reflections in [11̅0] zone axis were observed above 350°C. We explain the appearance of satellite reflections by the generation and ordering of {110} twin boundaries and suggest new thermal mechanism of the twin boundaries generation. We check the viability of this mechanism by ab initio molecular dynamics (AIMD) simulations and generalized solid state nudge elastic band (g-SSNEB) calculations.

Funder

Ministry of Education and Science of the Russian Federation

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Link

https://www.degruyter.com/document/doi/10.1515/zkri-2018-2109/pdf

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