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Temperature induced...
Temperature induced twinning in aragonite : transmission electron microscopy experiments and ab initio calculations
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- Gavryushkin, Pavel N. (författare)
- Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Prosp Acad Koptyuga 3, Novosibirsk 630090, Russia.;Novosibirsk State Univ, Pirogova 2, Novosibirsk 630090, Russia.
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- Recnik, Aleksander (författare)
- Jozef Stefan Inst, Dept Nanostruct Mat, Jamova 39, Ljubljana 1000, Slovenia.
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- Daneu, Nina (författare)
- Jozef Stefan Inst, Dept Adv Mat, Jamova 39, Ljubljana 1000, Slovenia.
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- Sagatov, Nursultan (författare)
- Novosibirsk State Univ, Pirogova 2, Novosibirsk 630090, Russia.;Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Prosp Acad Koptyuga 3, Novosibirsk 630090, Russia.
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- Belonoshko, Anatoly (författare)
- KTH,Fysik,Albanova VinnExcellence Center for Protein Technology, ProNova
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- Popov, Zakhar I. (författare)
- Natl Univ Sci & Technol MISIS, Leninskiy Pr 4, Moscow 119049, Russia.
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- Ribic, Vesna (författare)
- Univ Belgrade, Inst Multidisciplinary Res, Dept Mat Sci, Kneza Viseslava 1, Belgrade 11000, Serbia.
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- Litasov, Konstantin D. (författare)
- Novosibirsk State Univ, Pirogova 2, Novosibirsk 630090, Russia.;Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Prosp Acad Koptyuga 3, Novosibirsk 630090, Russia.
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Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Prosp Acad Koptyuga 3, Novosibirsk 630090, Russia;Novosibirsk State Univ, Pirogova 2, Novosibirsk 630090, Russia. Jozef Stefan Inst, Dept Nanostruct Mat, Jamova 39, Ljubljana 1000, Slovenia. (creator_code:org_t)
- 2018-10-16
- 2019
- Engelska.
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Ingår i: ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS. - : WALTER DE GRUYTER GMBH. - 2194-4946 .- 2196-7105. ; 234:2, s. 79-84
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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 [1 (1) over bar0] zone axis were observed above 350 degrees 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.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
Nyckelord
- density functional theory
- domains
- super-structural reflections
- symmetry
- twinning
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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