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arXiv 2209.01573cond-mat.dis-nncond-mat.mtrl-sci
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碱金属硼酸盐玻璃局域结构的演化

Evolution of Local Structures in Alkali-Borate Glasses

Richard Kerner, Dina-Maria dos Santos-Loff, Ana Cristina Rosa

摘要:

分析了二元碱硼酸盐玻璃中各种特征团簇的相对比例与改性剂浓度$x$的关系。纯的$B_2O_3$玻璃含有大量的硼氧环和其间的一定量的硼原子,硼氧环通过氧键连接。添加$Na_2O$改性剂会产生四配位硼,但所得网络玻璃保持完全连接。我们研究了导致产生新构型的局部变换,如四硼酸盐、五硼酸盐、二硼酸盐等,提出了一个类似于Lotka-Volterra模型的非线性微分系统。得到了作为$x$函数的各种局部构形的密度曲线。然后计算平均刚性,使我们能够计算给定$x$值的玻璃化转变温度$T_g(x)$

英文摘要:

We analyze the dependence of relative proportion of various characteristic clusters in binary alcali-borate glasses on modifier's concentration $x$. A pure $B_2O_3$ glass contains a huge amount of boroxol rings and some amount of boron atoms in between, linking the boroxol rings via oxygen bonds. The addition of the $Na_2O$ modifier creates four-coordinated borons, but the resulting network glass remains totally connected. We study local transformations that lead to creation of new configurations like tetraborates, pentaborates, diborates, etc., and set forth a non-linear differential system similar to the Lotka-Volterra model. The resulting density curves of various local confugurations as functions of $x$ are obtained. Then the average rigidity is evaluated, enabling us to compute the glass transition temperature $T_g(x)$ for a given value of $x$

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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