Ab initio aided strain gradient elasticity theory in prediction of nanocomponent fracture

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F19%3A00509680" target="_blank" >RIV/68081723:_____/19:00509680 - isvavai.cz</a>
Alternative codes found
RIV/00216305:26620/19:PU132295
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0167663619300341?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0167663619300341?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.mechmat.2019.103074" target="_blank" >10.1016/j.mechmat.2019.103074</a>

Result language
angličtina
Original language name
Ab initio aided strain gradient elasticity theory in prediction of nanocomponent fracture
Original language description
The aim of the paper is to address fracture problems in nanoscale-sized cracked components using a simplified form of the strain gradient elasticity theory aided by ab initio calculations. Quantification of the material length scale parameter l(1) of the simplified form of the strain gradient elasticity theory plays a key role in the analysis. The parameter l(1) is identified for silicon and tungsten single crystals using first principles calculations. Specifically, the parameter l(1) is extracted from phonon-dispersions generated by ab-initio calculations and, for comparison, by adjusting the analytical strain gradient elasticity theory solution for the displacement field near the screw dislocation with the ab-initio calculations of this field. The obtained results are further used in the strain gradient elasticity modeling of crack stability in nano-panels made of silicon and tungsten single crystals, where due to size effects and nonlocal material point interactions the classical linear fracture mechanics breaks down. The cusp-like crack tip opening profiles determined by the gradient elasticity theory and a hybrid atomistic approach at the moment of nano-panels fracture revealed a very good mutual agreement.
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
—
OECD FORD branch
20303 - Thermodynamics

Project
<a href="/en/project/GA17-18566S" target="_blank" >GA17-18566S: Combination of atomistic and higher-order elasticity approaches in fracture nanomechanics</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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