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- W3082189108 abstract "Phosphate glasses are an important group of materials for wide applications. They have received attention as biomaterials, eco-fertilizers, in optoelectronic devices, waste immobilization, etc. The subject of the studies is binary Al 2 O 3 –P 2 O 5 glass, seen by ab initio molecular dynamics simulations. In the paper, Mayer's Bond Order analysis was employed as a suitable tool to observe the changes in the network due to Al 2 O 3 substitutions. As well as, the bonding properties across the atoms in the network, which were characterized by electron localization function. The basic structural properties of the glasses are presented. The simulations showed that oxygen atoms in [PO 4 ] tetrahedrons create a weak covalent bond between the atoms. The interaction spreads across the whole phosphate network via bridging oxygens. Whereas, there is no such interaction between the atoms in [AlO x ] polyhedrons. In the case of the Al 2 O 3 rich glasses, there are evidence non-network oxygen atoms which influence the distribution of phosphate structural units predicted based on the O/P ratio. The possibility of estimation of the oxygens in an experiment is discussed. The atoms building the network are going to take specific values of the total bond orders and the glass network is an interplay between atoms’ affinity to saturate bond orders and the glass network neutrality." @default.
- W3082189108 created "2020-09-08" @default.
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- W3082189108 date "2021-01-01" @default.
- W3082189108 modified "2023-10-03" @default.
- W3082189108 title "Alternative insight into aluminium-phosphate glass network from ab initio molecular dynamics simulations" @default.
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- W3082189108 cites W1968671232 @default.
- W3082189108 cites W1969252393 @default.
- W3082189108 cites W1976074235 @default.
- W3082189108 cites W1982808601 @default.
- W3082189108 cites W1983227046 @default.
- W3082189108 cites W1990034480 @default.
- W3082189108 cites W1993024556 @default.
- W3082189108 cites W1994381312 @default.
- W3082189108 cites W1994958754 @default.
- W3082189108 cites W1996552900 @default.
- W3082189108 cites W1997654021 @default.
- W3082189108 cites W1998566421 @default.
- W3082189108 cites W2000872531 @default.
- W3082189108 cites W2003137504 @default.
- W3082189108 cites W2003378009 @default.
- W3082189108 cites W2006599021 @default.
- W3082189108 cites W2008612650 @default.
- W3082189108 cites W2010530332 @default.
- W3082189108 cites W2010665709 @default.
- W3082189108 cites W2011943458 @default.
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- W3082189108 cites W2019830072 @default.
- W3082189108 cites W2026479650 @default.
- W3082189108 cites W2028056984 @default.
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- W3082189108 doi "https://doi.org/10.1016/j.ceramint.2020.09.018" @default.
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