Research on Oxyfluoride Glasses in Material Engineering with Optical Basicity and Electronic Polarizability

2012 ◽  
Vol 568 ◽  
pp. 336-339
Author(s):  
Xiao Li Wang ◽  
Da Wei Yu ◽  
Xu Han ◽  
Xin Yu Zhao

In material engineering, oxyfluoride glasses have a great important potential application in NLO. The optical basicity and electronic polarizability of oxyfluoride glasses have been evaluated on the basis of the optical electronegativity. The estimated values are in good agreement with previous experimental values. Furthermore, we introduce optical electronegativity of oxyfluoride glasses to predict the glass transition temperature Tg of oxyfluoride glasses. The present investigation suggests that the glass transition temperature Tg decreases with increasing optical electronegativity.

2012 ◽  
Vol 568 ◽  
pp. 332-335
Author(s):  
Xin Yu Zhao ◽  
Da Wei Yu ◽  
Xu Han ◽  
Xiao Li Wang

Bismuth/barium-containing crystals have attracted much attention in application of material engineering because of their importance for the development of nonlinear optical (NLO) information processing technology. Compared to crystals, glasses have shown many advantages in the material engineering, such as easier shaping in casting procedures, low production cost and high thermal and chemical durability. Furthermore, there is a close relationship between NLO and polarizability α and optical basicity Λ for the glasses system. Prompted by these interests in application of material engineering, we reported new data of α and Λ of BaO-Bi2O3-B2O3-SiO2 glasses system (G-BBBSO) for the different wavelength range (480, 546.1 and 643.8 nm). The results suggested that the G-BBBSO have a high polarizability and optical basicity, that is, the glasses system have potential application in material engineering.


2013 ◽  
Vol 23 ◽  
pp. 16-23 ◽  
Author(s):  
S. Herasati ◽  
H.H. Ruan ◽  
Liang Chi Zhang

Glass transition temperature Tg is the most important parameter affecting the mechanical properties of amorphous and semi-crystalline polymers. However, the atomistic origin of glass transition is not yet well understood. Using Polyethylene (PE) as an example, this paper investigates the glass transition temperature Tg of PE with the aid of molecular dynamics (MD) simulation. The effects of PE chain branches, crystallinity and carbon-nanotube (CNT) additives on the glass transition temperature are analyzed. The MD simulations render a good agreement with the relevant experimental data of semi-crystalline PE and show the significant effects of crystallinity and addition of CNTs on Tg.


2014 ◽  
Vol 584-586 ◽  
pp. 1714-1717 ◽  
Author(s):  
Tatyana Matseevich ◽  
Marina Popova ◽  
Valerii Kondrashchenko ◽  
Andrey Askadskii

The theoretical analysis regarding the influence of the chemical structures both of polymer and plasticizer on the glass transition temperature has been produced. The analysis is made based on the Askadskii equation allowing Tg calculation of polymers. The phenomenon of blocking polar groups of the polymer by the molecules of plasticizer is taken into consideration. Also the effect of dilution was considered. The analytical expression for concentration dependence of the glass transition temperature is obtained, and a good agreement between the experimental and calculated data is provided.


RSC Advances ◽  
2016 ◽  
Vol 6 (15) ◽  
pp. 12053-12060 ◽  
Author(s):  
Qing Yang ◽  
Xin Chen ◽  
Zhouwen He ◽  
Fengtao Lan ◽  
Hui Liu

Different measurements of molecular dynamic simulation are used to investigated the glass transition temperature of polyethylene in this work. The simulated value of the Tg is about 200 K, which is in good agreement with available data of 195 K in the literature.


2021 ◽  
Vol 3 (4) ◽  
Author(s):  
Jiri Schwarz ◽  
Helena Ticha

AbstractThe glasses (PbO)x(ZnO)35−x(TeO2)65 with 0 < x < 25 were prepared by conventional melting method. The substitution of ZnO by PbO leads to a decrease in the glass transition temperature (Tg) from 338 to 280 °C and an increase in the linear coefficient of thermal expansion (α) from 15.8 to 19.2 ppm K−1. A correlation between α and Tg has been confirmed by the Lindemann rule. The two prediction methods of the coefficient of thermal expansion (α) were compared with experimental values: the simple additivity model and the Mackenzie method. From Raman spectra, it is evident that the substitution of ZnO by PbO leads mainly to the conversion of TeO4 structural units to TeO3 structural units. This conversion leads to network depolymerization.


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