在非均场中的异型粒子多相平衡
Philippe B Baron1, Rachel S Hendley1, Michael A Bevan1
1Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218, USA.
The Journal of chemical physics
|December 21, 2023
概括
我们开发了一个新的模型来预测硬圆在外部场内的不同阶段如何排列. 该方法准确预测粒子分布和相位行为,有助于控制微观结构.
科学领域:
- 物理 物理学 物理
- 材料科学 材料科学 材料科学
- 统计力学 统计力学
背景情况:
- 预测异质粒子的行为,如外部场中的硬圆,是复杂的.
- 了解多相平衡 (流体,阴性,晶体) 对于材料设计至关重要.
研究的目的:
- 开发和验证一种方法,用于预测在不均场中的硬圆的平衡度概况.
- 为了建模包括流体,阴性和晶体相在内的多相平衡.
主要方法:
- 利用了透压力和场介导力的平衡.
- 采用了局部密度近似方法.
- 开发了硬圆的精确状态方程,具有不同的面积比 (k=1-9).
主要成果:
- 预测的密度概况与蒙特卡洛模拟对方比k=2,4和6的良好一致.
- 在位置和方向顺序中观察到局部顺序参数的良好一致.
- 由于近似限制和系统大小,在接口上发现了差异.
结论:
- 该模型成功地捕获了非均场中的硬圆的多相平衡.
- 它为控制基于尺寸比的异型粒子微观结构提供了基础.
- 这在各种材料和界面能源景观工程中具有潜在的应用.
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