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  Atomistic simulations of carbon diffusion and segregation in α-iron grain boundaries

Hendy, M., Hatem, T. M., & El-Awady, J. A. (2018). Atomistic simulations of carbon diffusion and segregation in α-iron grain boundaries. In Minerals, Metals and Materials Series (pp. 323-332). Springer International Publishing.

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Datensatz-Permalink: http://hdl.handle.net/21.11116/0000-0001-E85C-3 Versions-Permalink: http://hdl.handle.net/21.11116/0000-0001-E861-C
Genre: Konferenzbeitrag

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 Urheber:
Hendy, Mohamed1, Autor              
Hatem, Tarek M.2, 3, Autor              
El-Awady, Jaafar A.4, Autor              
Affiliations:
1Department of Mechanical Engineering, The British University in Egypt, El-Sherouk City, Cairo, Egypt, persistent22              
2Centre for Simulation Innovation and Advanced Manufacturing, The British University in Egypt, El-Sherouk City, Cairo, Egypt, persistent22              
3Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, escidoc:1863381              
4Department of Mechanical Engineering, Whiting School of Engineering, Johns Hopkins University, Baltimore, MD, USA, persistent22              

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Schlagwörter: Alloying; Alloying elements; Carbon; Crystal lattices; Grain (agricultural product); Grain boundaries; Iron; Mechanical properties; Polycrystalline materials; Surface segregation, Angular deviations; Atomistic simulations; Carbon diffusion; Coincidence lattices; Coincidence site lattices; Engineering materials; Molecular statics; Segregation energies, Segregation (metallography)
 Zusammenfassung: Abstract Polycrystalline materials’ mechanical properties and failure modes depend on many factors that include segregation of different alloying elements as well as its grain boundaries (GBs) structure. Understanding the parameters affecting the diffusion and binding of alloying elements within GBs will allow enhancing the mechanical properties of the commercial engineering materials and developing interface dominant materials. In practice, the coincidence site lattice (CSL) GBs are experiencing deviations from their ideal configurations. Consequently, this will change the atomic structural integrity by superposition of sub-boundary dislocation networks on the ideal CSL interfaces. For this study, ideal ∑3 GB structures and their angular deviations in BCC iron within the range of Brandon criterion will be studied comprehensively using molecular statics (MS) simulations. GB segregation energy and free surface segregation energies are calculated for carbon atoms. Rice-Wang model will be used to assess the embrittlement impact variation over the deviation angles. © The Minerals, Metals Materials Society 2018.

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Sprache(n): eng - Englisch
 Datum: 2018
 Publikationsstatus: Im Druck publiziert
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: ISBN: 9783319725253
DOI: 10.1007/978-3-319-72526-0_30
BibTex Citekey: Hendy2018323
 Art des Abschluß: -

Veranstaltung

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Titel: 147th Annual Meeting and Exhibition of the Minerals, Metals and Materials Society, TMS 2018
Veranstaltungsort: Phoenix, AZ, USA
Start-/Enddatum: 2018-03-11 - 2018-03-15

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Titel: Minerals, Metals and Materials Series
Genre der Quelle: Konferenzband
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Springer International Publishing
Seiten: - Band / Heft: Part F12 Artikelnummer: - Start- / Endseite: 323 - 332 Identifikator: ISSN: 23671181