论文标题
离子自扩散和铝硅液中的玻璃过渡异常
Ionic Self-Diffusion and the Glass Transition Anomaly in Aluminosilicates
论文作者
论文摘要
玻璃过渡温度（TG）是温度，之后超冷的液体经历动态停滞。通常，玻璃网络修饰符（例如Na2O）会影响TG的行为。但是，在铝硅酸盐玻璃中，不同修饰符对TG的影响仍不清楚，并且显示出异常的行为。在这里，基于分子动力学模拟，我们表明玻璃过渡温度随铝硅酸盐玻璃中的电荷平衡阳离子（FS）的增加而降低，与其他氧化物玻璃相比，这是一种异常行为。结果表明，这种异常的起源来自TG上方的超冷液体的动力学，这又与多余的熵相关。我们的结果加深了我们对不同修饰符对铝硅玻璃特性的影响的理解。
The glass transition temperature (Tg) is the temperature, after which the supercooled liquid undergoes a dynamical arrest. Usually, the glass network modifiers (e.g., Na2O) affect the behavior of Tg. However, in aluminosilicate glasses, the effect of different modifiers on Tg is still unclear and show an anomalous behavior. Here, based on molecular dynamics simulations, we show that the glass transition temperature decreases with increasing charge balancing cations field strength (FS) in the aluminosilicate glasses, which is an anomalous behavior as compared to other oxide glasses. The results show that the origins of this anomaly come from the dynamics of the supercooled liquid above Tg, which in turn is correlated to pair excess entropy. Our results deepen our understanding of the effect of different modifiers on the properties of the aluminosilicate glasses.
