TU Darmstadt / ULB / TUbiblio

A model for diffusion and immobilization of Lithium in SiOC nanocomposite anodes

Stein, Peter ; Vrankovic, Dragoljub ; Graczyk-Zajac, Magdalena ; Riedel, Ralf ; Xu, Bai-Xiang :
A model for diffusion and immobilization of Lithium in SiOC nanocomposite anodes.
In: JOM, 69 (9) pp. 1524-1531. ISSN 1047-4838
[Artikel], (2017)

Kurzbeschreibung (Abstract)

In order to simulate the diffusion of Li ions in SiOC nanocomposites, we developed a reaction-diffusion model for multiphase materials. This model extends existing models for single-phase diffusion through consideration of the ion transport across material interfaces. In each phase, this model regards mobile and immobilized ions together with the irreversible trapping process. The behavior of material interfaces is incorporated using a Butler-Volmer reaction kinetics model. The model is verified using a simple two-phase benchmark on a square domain. Simulations of the coupled diffusion in a random microstructure show a stalling effect, whereby the immobilization process effectively stops the diffusion of mobile ions during the first stages of intercalation.

Typ des Eintrags: Artikel
Erschienen: 2017
Autor(en): Stein, Peter ; Vrankovic, Dragoljub ; Graczyk-Zajac, Magdalena ; Riedel, Ralf ; Xu, Bai-Xiang
Titel: A model for diffusion and immobilization of Lithium in SiOC nanocomposite anodes
Sprache: Englisch
Kurzbeschreibung (Abstract):

In order to simulate the diffusion of Li ions in SiOC nanocomposites, we developed a reaction-diffusion model for multiphase materials. This model extends existing models for single-phase diffusion through consideration of the ion transport across material interfaces. In each phase, this model regards mobile and immobilized ions together with the irreversible trapping process. The behavior of material interfaces is incorporated using a Butler-Volmer reaction kinetics model. The model is verified using a simple two-phase benchmark on a square domain. Simulations of the coupled diffusion in a random microstructure show a stalling effect, whereby the immobilization process effectively stops the diffusion of mobile ions during the first stages of intercalation.

Titel der Zeitschrift, Zeitung oder Schriftenreihe: JOM
Band: 69
(Heft-)Nummer: 9
Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Disperse Feststoffe
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Mechanik Funktionaler Materialien
11 Fachbereich Material- und Geowissenschaften
Hinterlegungsdatum: 07 Jun 2017 08:27
Export:

Optionen (nur für Redakteure)

Eintrag anzeigen Eintrag anzeigen