Estimation of cross sections for molecule-cluster interactions by using artificial neural networks

BÖYÜKATA M., Kocyigit Y., Guvenc Z. B.

BRAZILIAN JOURNAL OF PHYSICS, cilt.36, sa.3A, ss.730-735, 2006 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 36 Sayı: 3A
  • Basım Tarihi: 2006
  • Dergi Adı: BRAZILIAN JOURNAL OF PHYSICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.730-735
  • Anahtar Kelimeler: artificial neural networks, molecular dynamics, clusters, reactivity, DISSOCIATION DYNAMICS, NI CLUSTERS, NI(111) SURFACES, NICKEL CLUSTERS, METAL-CLUSTERS, HYDROGEN, SYSTEMS, H-2, D2, REACTIVITY
  • Yozgat Bozok Üniversitesi Adresli: Evet

Özet

The cross sections Of D(2) (v,j) + Ni(n) (T), n = 19 and 20, collision systems have been estimated by using Artificial Neural Networks (ANNs). For training, previously determined cross section values via molecular dynamics simulation have been used. The performance of the ANNs for predicting any quantities in molecule-cluster interaction has been investigated. Effects of the temperature of the clusters and the rovibrational states of the molecule are analyzed. The results are in good agreement with previous studies.