Atomistic Structures discussed in "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture"

Atomistic Structures discussed in "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture"

The tar file Sigma7_GB.tar contains all data to reproduce the results shown and discussed in the Publication "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture", DOI: 10.1016/j.actamat.2023.119256 It contains th...

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Bibliographische Detailangaben
Hauptverfasser: ghafarollahi, alireza, Bitzek, Erik
Format: Dataset
Sprache:eng
Schlagworte:
Atomistic Simulations
Fracture
Grain Boundary
LAMMPS
Phosphorous
Segragation
Tungsten
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Beschreibung
Zusammenfassung:The tar file Sigma7_GB.tar contains all data to reproduce the results shown and discussed in the Publication "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture", DOI: 10.1016/j.actamat.2023.119256 It contains three folders for the grain boundary creation, decoration with P atoms, and fracture simulations.The naming conventions and additional information are provided in README.txt files in the directories.
DOI:10.5281/zenodo.10043613