Fully coupled segregation and precipitation kinetics model with ab initio input for the Fe-Au system
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F23%3A00570491" target="_blank" >RIV/68081723:_____/23:00570491 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S1359645422009521?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S1359645422009521?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.actamat.2022.118577" target="_blank" >10.1016/j.actamat.2022.118577</a>
Alternative languages
Result language
angličtina
Original language name
Fully coupled segregation and precipitation kinetics model with ab initio input for the Fe-Au system
Original language description
For designing new and improved materials, predictive modeling of precipitation and segregation kinetics is required. So far, no modeling approach is available that couples precipitation with ab initio segregation data. We derive the mathematical basis for a model to describe segregation and precipitation kinetics with grain boundary segregation energies obtained from ab initio simulations. The model is implemented rigorously and validated with experimental data on a Fe-Au system from literature.
Czech name
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Czech description
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Classification
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
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Materialia
ISSN
1359-6454
e-ISSN
1873-2453
Volume of the periodical
244
Issue of the periodical within the volume
JAN
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
118577
UT code for WoS article
000976888400001
EID of the result in the Scopus database
2-s2.0-85145615429