灭失调对柔软的合体系统中相变的动力学和路径的影响
Gadha Ramesh1, Mantu Santra2, Rakesh S Singh3
1Department of Physics, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati, Andhra Pradesh 517619, India.
The Journal of chemical physics
|January 3, 2025
概括
杂质在软合体系统中显著影响晶核形成. 这项研究揭示了杂质大小和表面结构,特别是晶体结构,如何影响核化障碍和最终晶体结构,为实验控制提供了洞察力.
科学领域:
- 材料科学 材料科学 材料科学
- 计算化学计算化学
- 统计力学 统计力学
背景情况:
- 大多数核化研究都忽略了杂质,但它们在真实系统中无处不在.
- 杂质对相位过渡的影响,特别是在复杂系统中,尚不清楚.
- 了解杂质的影响对于控制实验中的结晶至关重要.
研究的目的:
- 研究静态杂质对晶体核化机制和运动学的影响.
- 探索杂质大小,分数和表面形态如何影响核化障碍和关键集群大小.
- 为了确定杂质对得到的结晶相的多态特性的影响.
主要方法:
- 蒙特卡洛模拟用于建模高斯核心模型系统.
- 研究了静态杂质的不同分数 (fp) 和大小 (np) 的影响.
- 分析了不同杂质表面形态 (如晶体,粗) 对核化的影响.
主要成果:
- 核化自由能障碍和关键集群大小随着杂质分数的增加而增加,但随着杂质大小的减少而减少.
- 晶体杂质表面,特别是以身体为中心的立方体,显著降低了核化障碍.
- 杂质表面形态和系统大小影响最终晶体相的多态性.
结论:
- 静态杂质在软物质系统中调节晶核形成中起着至关重要的作用.
- 像表面结构一样,不纯度特征可以被利用来控制结晶路径和结果.
- 这项研究为控制结晶过程中的多态选择的表面诱导的结构波动提供了基本的见解.
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