Ductile-brittle transition at edge cracks (001)[110] in BCC iron under different loading rates in mode I: a 3D atomistic study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F22%3A00556328" target="_blank" >RIV/61388998:_____/22:00556328 - isvavai.cz</a>
Result on the web
<a href="https://iopscience.iop.org/article/10.1088/2053-1591/ac5708" target="_blank" >https://iopscience.iop.org/article/10.1088/2053-1591/ac5708</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/2053-1591/ac5708" target="_blank" >10.1088/2053-1591/ac5708</a>

Result language
angličtina
Original language name
Ductile-brittle transition at edge cracks (001)[110] in BCC iron under different loading rates in mode I: a 3D atomistic study
Original language description
3D atomistic simulations via molecular dynamics (MD) at temperature of 0 K and 295 K (22°C) with a high quasi-static loading rate dP/dt of 2.92 kN/s show that cleavage fracture is supported by surface emission of oblique dislocations and by their subsequent cross slip to {112} planes, which increases separation of the (001) cleavage planes inside the crystal. Under the slower loading rate by a factor 5, the crack growth is hindered by twin generation on oblique planes {112} and the fracture is ductile. The MD results explain the contribution of the crack itself to the ductile-brittle transition observed in our fracture experiments on Fe-3wt%Si single crystals of the same orientation and geometry, loaded at the same rates dP/dt as in MD. The loading rates are equivalent to the cross head speed of 5 mm/min and 1 mm/min used in the experiment. The MD results also agree with the stress analysis performed by the anisotropic LFM and comply with experimental observations.
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
20501 - Materials engineering

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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