arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2501.04456cond-mat.softphysics.ao-phphysics.comp-ph
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Langevin动力学的数值玩具模型实现胶体微滴蒸发的实时可视化

A numerical toy model of Langevin dynamics provides real-time visualization of colloidal microdroplet evaporation

Gennadiy Derkachov, Tomasz Jakubczyk, Sima Alikhanzadeh-Arani, Tomasz Wojciechowski, Daniel Jakubczyk

AI总结:

提出一种GPU加速的Langevin动力学玩具模型,可实时模拟蒸发微滴中多类型纳米粒子聚集,并经电动阱实验与SEM验证。

摘要:

我们开发并测试了一个简化但通用的基于Langevin动力学的纳米粒子聚集数值模型。该模型尤其能够模拟蒸发(或冷凝)微滴中的聚集过程。它运行在图形处理器(GPU)上,速度足以支持实时概念化任务。我们将建模结果与在电动阱中开展的两类实验结果进行了验证。首先,该模型帮助我们阐明了在复合微滴蒸发过程中经常观察到的散射“复兴”现象。此外,我们能够模拟微滴被干燥以形成纳米粒子(NP)聚集体、随后进行软着陆的实验,从而将模型预测与扫描电子显微镜(SEM)成像进行比较。该模型针对多达2.5×10^5个、若干共存类型的纳米粒子进行了测试。模型可考虑多种相互作用:粒子间作用包括Lennard-Jones作用和Coulomb作用;外部作用包括分散介质黏度、离心力、重力、表面张力和界面运动。纳米粒子的Brownian运动可以自由控制。核心程序配有在后处理中提取NP聚集体统计性质的脚本,包括分形维数和径向分布函数。代码已在公共代码仓库中公开。文中还展示了若干不同的演化场景。

英文摘要:

We have developed and tested a simplified but versatile numerical model of nanoparticles' aggregation using Langevin dynamics. The model is particularly capable of simulating aggregation in an evaporating (or condensing) microdroplet. It runs on a graphics processing unit (GPU), which makes it sufficiently fast for real-time conceptualization tasks. We have verified the results of modeling against the findings from two types of experiments we conducted in electrodynamic traps. Firstly, our model helped us to elucidate the phenomenon of scattering `revival', often observed during the evaporation of composite microdroplets. Further on, we were able to mimic our experiments, in which the microdroplets were dried up to form nanoparticle (NP) aggregates, and then soft-landed. Thus we could compare model predictions with SEM imaging. The model was tested for up to $2.5\times 10^5$ nanoparticles of several coexisting types. Several types of interactions can be accounted for: inter-particle: Lennard-Jones and Coulomb; external: dispersion medium viscosity, centrifugal force, gravity, surface tension, and interface movement. Brownian motion of nanoparticles can be freely controlled. The core program is accompanied by scripts extracting statistical NP aggregates properties in post-processing -- fractal dimension and radial distribution functions. The codes are made available in public repositories. Several diverse evolution scenarios are presented.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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