Atomic structures of twin boundaries in hexagonal closepacked metallic crystals with particular focus on Mg

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F17%3A00478916" target="_blank" >RIV/68081723:_____/17:00478916 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1038/s41524-017-0010-6" target="_blank" >http://dx.doi.org/10.1038/s41524-017-0010-6</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41524-017-0010-6" target="_blank" >10.1038/s41524-017-0010-6</a>

Result language
angličtina
Original language name
Atomic structures of twin boundaries in hexagonal closepacked metallic crystals with particular focus on Mg
Original language description
We have investigated twin boundaries in double-lattice hexagonal close-packed metallic materials, focusing on their atomicngeometry. Combining accurate ab-initio methods and large-scale atomistic simulations we address the following two fundamentalnquestions: (i) What are the possible intrinsic twin boundary structures in hcp crystals? (ii) Are these structures stable against smallndistortions? In order to help end a decade-long controversy over the experimental observations of the atomic structures of twinnboundaries, we have determined the energetics, spectra, and transition mechanisms of the twin boundaries. Our results confirmnthat the mechanical stability controls structures which are observed
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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