Konu "ab initio" için PubMed İndeksli Yayınlar Koleksiyonu listeleme
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Boron-rich amorphous boron oxides from ab initio simulations
(ELSEVIER, 2023)Amorphous boron oxide (BxO1-x, 0.5 ≤ x ≤ 95) configurations are simulated by means of an ab initio molecular dynamics technique and their microstructure and mechanical properties are revealed in details. With increasing B ...