在四维的莱纳德-斯液体中均质结晶
1Department of Physics, University of South Florida, Tampa, Florida 33620, USA.
Physical review. E
|May 17, 2024
概括
高维液体在吸引力下更快地结晶. 这挑战了这样一个观点,即不断增加的尺寸总是阻碍结晶,尤其是在具有现实的相互作用的系统中.
科学领域:
- 物理 物理学 物理
- 材料科学 材料科学 材料科学
- 计算化学的计算化学
背景情况:
- 超冷液体中的结晶是材料科学中的一个基本过程.
- 空间维度 (d) 对结晶的作用是研究的一个关键领域,几何挫折假定会在d增加时抑制结晶.
- 以前的研究往往侧重于具有短距离相互作用或较低维度的系统.
研究的目的:
- 在具有现实的动态的高维 (d>3) 液体中研究同质结晶.
- 确定长距离吸引相互作用在高维结晶中的作用.
- 为了测试这样的假设,即越来越多的几何挫折抑制了随着空间尺寸的增加而增加的结晶.
主要方法:
- 模拟超冷的四维 (4D) 列纳德-斯 (LJ) 液体在零压力和温度0.59
- 在相同的条件下模拟了Weeks-Chandler-Andersen (WCA) 液体,以隔离吸引相互作用的影响.
- 分析结晶动力学和局部 - 纽带边界分布.
主要成果:
- 在4D LJ液体中观察到均质结晶,在2x10^4 tau内.
- 即使在2.5x10^5 tau.之后,WCA液体 (缺乏长距离的吸引力) 也没有结晶.
- 液态和结晶相之间的重叠对于LJ来说比4D中的WCA系统要小,与3D趋势形成对比.
结论:
- 长距离的吸引力相互作用显著加快了4D液体中的结晶.
- 增加几何挫折抑制尺寸结晶的假设只适用于没有吸引力的系统.
- 这项研究强调了粒子间相互作用在高维结晶现象中的重要性.
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