McKenzie Matthew E, Deng Binghui, Van Hoesen D C, Xia Xinsheng, Baker David E, Rezikyan Aram, Youngman Randall E, Kelton K F
Science and Technology Division, Corning Research and Development Corporation, Corning, NY, 14831, USA.
Department of Physics, Washington University, St. Louis, MO, 63130, USA.
Sci Rep. 2021 Jan 8;11(1):69. doi: 10.1038/s41598-020-79749-2.
Nucleation is generally viewed as a structural fluctuation that passes a critical size to eventually become a stable emerging new phase. However, this concept leaves out many details, such as changes in cluster composition and competing pathways to the new phase. In this work, both experimental and computer modeling studies are used to understand the cluster composition and pathways. Monte Carlo and molecular dynamics approaches are used to analyze the thermodynamic and kinetic contributions to the nucleation landscape in barium silicate glasses. Experimental techniques examine the resulting polycrystals that form. Both the modeling and experimental data indicate that a silica rich core plays a dominant role in the nucleation process.
成核通常被视为一种结构波动，它超过临界尺寸最终成为一个稳定出现的新相。然而，这个概念遗漏了许多细节，比如团簇组成的变化以及通向新相的竞争路径。在这项工作中，实验研究和计算机建模研究都被用于理解团簇组成和路径。蒙特卡罗方法和分子动力学方法被用于分析硅酸钡玻璃中成核态势的热力学和动力学贡献。实验技术用于检测所形成的多晶体。建模和实验数据均表明富硅核心在成核过程中起主导作用。
