Tensorial elastic properties and stability of interface states associated with Sigma 5(210) grain boundaries in Ni3(Al,Si)

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F17%3A00478846" target="_blank" >RIV/68081723:_____/17:00478846 - isvavai.cz</a>

Alternative codes found

RIV/00216224:14740/17:00094772 RIV/00216305:26210/17:PU124231

Result on the web

<a href="http://dx.doi.org/10.1080/14686996.2017.1312519" target="_blank" >http://dx.doi.org/10.1080/14686996.2017.1312519</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/14686996.2017.1312519" target="_blank" >10.1080/14686996.2017.1312519</a>

Result language

angličtina

Original language name

Tensorial elastic properties and stability of interface states associated with Sigma 5(210) grain boundaries in Ni3(Al,Si)

Original language description

Grain boundaries (GBs) represent one of the most important types of defects in solids and their instability leads to catastrophic failures in materials. Grain boundaries are challenging for theoretical studies because of their distorted atomic structure. Fortunately, quantum-mechanical methods can reliably compute their properties. We calculate and analyze (tensorial) anisotropic elastic properties of periodic approximants of interface states associated with GBs in one of the most important intermetallic compounds for industrial applications, Ni3Al, appearing in Ni-based superalloys. Focusing on the Sigma5(210) GBs as a case study, we assess the mechanical stability of the corresponding interface states by checking rigorous elasticity-based Born stability criteria. The critical elastic constant is found three-/five-fold softer contributing thus to the reduction of the mechanical stability of Ni3Al polycrystals (experiments showtheir GB-related failure). The tensorial elasto-chemical complexity of interface states associated with the studied GBs exemplifies itself in high sensitivity of elastic constants to the GB composition. As another example we study the impact caused by Si atoms segregating into the atomic layers close to the GB and substituting Al atoms. If wisely exploited, our study paves the way towards solute-controlled design of GB-related interface states with controlled stability and/or tensorial properties.

Czech name

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Czech description

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Type

J_imp - 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

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Science and Technology of Advanced Materials

ISSN

1468-6996

e-ISSN

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Volume of the periodical

18

Issue of the periodical within the volume

1

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

11

Pages from-to

273-282

UT code for WoS article

000400382000001

EID of the result in the Scopus database

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