Konu "DFT" için listeleme
Toplam kayıt 2, listelenen: 1-2
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The boron-rich amorphous materials
(Abdullah Gül Üniversitesi, Fen Bilimleri Enstitüsü, 2023)In the scope of this thesis, boron-rich amorphous materials having different boron concentrations (B1-xNx, B1-xOx and B1-xSix) were created as a result of rapid cooling of their liquid state with the help of an ab initio ... -
Data-driven discovery and DFT modeling of Fe4H on the atomistic level
(ELSEVIER, 2024)Since their discovery, iron and hydrogen have been two of the most interesting elements in scientific research, with a variety of known and postulated compounds and applications. Of special interest in materials engineering ...