过冷
玻璃化转变
不稳定性
脆弱性
结晶
分子动力学
热力学
晶体生长
材料科学
化学
动力学
分析化学(期刊)
结晶学
物理化学
色谱法
计算化学
复合材料
有机化学
物理
量子力学
聚合物
摘要
Published values of crystal growth rates are compared for supercooled glass-forming liquids undergoing congruent freezing at a planar crystal-liquid interface. For the purposes of comparison pure metals are considered to be glass-forming systems, using data from molecular-dynamics simulations. For each system, the growth rate has a maximum value Umax at a temperature Tmax that lies between the glass-transition temperature Tg and the melting temperature Tm. A classification is suggested, based on the lability (specifically, the propensity for fast crystallization), of the liquid. High-lability systems show “fast” growth characterized by a high Umax, a low Tmax / Tm, and a very broad peak in U vs. T / Tm. In contrast, systems showing “slow” growth have a low Umax, a high Tmax / Tm, and a sharp peak in U vs. T / Tm. Despite the difference of more than 11 orders of magnitude in Umax seen in pure metals and in silica, the range of glass-forming systems surveyed fit into a common pattern in which the lability increases with lower reduced glass-transition temperature (Tg / Tm) and higher fragility of the liquid. A single parameter, a linear combination of Tg / Tm and fragility, can show a good correlation with Umax. For all the systems, growth at Umax is coupled to the atomic/molecular mobility in the liquid. It is found that, across the diversity of glass-forming systems, Tmax / Tg = 1.48 ± 0.15.
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