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Determination of Chemisorption Probabilities of Hydrogen Molecules on a Nickel Surface by Artificial Neural Network

Mustafa Böyükata ; Bozok University, Yozgat, Turkey
Yücel Koçyiðit ; Celal Bayar University, Manisa, Turkey
Ziya B. Güvenç ; Çankaya University, Ankara, Turkey


Puni tekst: engleski pdf 274 Kb

str. 305-310

preuzimanja: 666

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Sažetak

Dissociative chemisorption probabilities for H2(v, j) + Ni(100) collision systems have been estimated
by using Artificial Neural Network (ANN). For training, previously determined probability
values via molecular dynamics simulations have been used. Performance of the ANN, for
predicting any quantities in the molecule-surface interaction, has been investigated. Effects of
the surface sites and the rovibrational states of the molecule on the process are analyzed. The
results are in good agreement with the related previous studies.

Ključne riječi

artificial neural networks; molecular dynamics; hydrogen molecule; nickel surface; molecule-surface; surface chemisorption

Hrčak ID:

28370

URI

https://hrcak.srce.hr/28370

Datum izdavanja:

30.6.2008.

Posjeta: 1.111 *