Collaborative Research: Computations, Modeling and Experiments of Self and Directed Assembly for Nanoscale Liquid Metal Systems

主要研究者：Kondic，Lou / Rack，菲利普D.提案编号：1604351 /1603780所提出的研究的目标是研究纳米级液体金属滴在表面上的行为与模拟，建模和实验的综合方法。将这种纳米滴以可控的方式放置在不同的表面上对于制造具有独特材料特性的表面非常重要，这些材料特性可用于微电子器件、太阳能电池板、光谱学甚至癌症的辐射治疗。拟议的工作探讨了纳米级液态金属丝的塌陷与破裂中的毛细管力、粘性力和惯性力的竞争，液态金属与基底的相互作用，以及热效应，其中纳米级热梯度将通过模板和温度相关的材料性质而被施加。该提案的变革性方面在于为具有增强功能的复杂和多组分纳米颗粒合成的新兴领域提供新的见解。在这项拟议的工作中提出的研究工作集中在开发直接数值方法求解全三维Navier-Stokes方程结合有针对性的实验。具体而言，精确的数值方法将开发的基础上，多材料的流体体积的方法，还包括三重连接和移动接触线，以及描述液体-固体相互作用的潜力。为了挑战计算，物理实验的目的是询问各种金属/合金基板的组合，这将探测相关的流体动力学和化学不稳定性。所提出的项目的一个显着特点是立即和直接的数值结果与实验的比较。理论，计算和实验工作将相互推动，理论预测直接通过实验进行检查，随后这些实验将用于开发更准确的理论描述纳米级液态金属的不稳定性和传输。这项研究的结果将是感兴趣的一个广泛的社区探索实验和计算流体动力学和更普遍的研究人员考虑纳米科学的各个方面。拟议工作的更广泛影响在于为具有增强功能的复杂和多组分纳米颗粒合成的新兴领域提供新的见解。拟议的工作预计将对一些应用程序产生影响。实例包括用于增强型太阳能电池和波导的基于金属颗粒的等离子体结构，其中感兴趣的是具有由金属纳米颗粒的有序阵列覆盖的衬底。该提案还包括开发可供社区研究人员使用的软件，以及为研究生和本科生开展的教育活动。

PI: Kondic, Lou / Rack, Phillip D.Proposal Number: 1604351 / 1603780The goal of the proposed research is to investigate the behavior of nanoscale liquid metal drops on surfaces with a comprehensive approach of simulations, modeling and experiments. Placing such nanodrops on different surfaces in a controlled way is important for manufacturing surfaces with unique material properties that can be used in microelectronic devices, in solar panels, in spectroscopy and even in radiation treatment for cancer.The proposed work explores competing capillary, viscous and inertial forces in the collapse versus breakup of nanoscale liquid metal filaments, liquid metal-substrate interactions, and thermal effects where nanoscale thermal gradients will be imposed via templating and temperature dependent material properties. The transformative aspect of this proposal resides in providing new insights into the emerging field of complex and multi-component nanoparticle synthesis with enhanced functionality. Research efforts put forward in this proposed work focus on developing direct numerical methods for solving fully 3D Navier-Stokes equations in combination with targeted experiments. Specifically, accurate numerical methods will be developed based on the multi-material Volume of Fluid approach, also incorporating triple junctions and moving contact lines, as well as the potentials describing liquid-solid interactions. To challenge the computations, the physical experiments are designed to interrogate various metal/alloy-substrate combinations which will probe the relevant hydrodynamic and chemical instabilities. A distinguishing feature of the proposed project is the immediate and direct comparison of numerical results with the experimental ones. The theoretical, computational, and experimental work will drive each other, with theoretical predictions directly checked by experiments, and subsequently these experiments will be used to develop more accurate theoretical description of the instabilities and transport of nanoscale liquid metals. The results of this research will be of interest to a wide community exploring experimental and computational fluid dynamics and more generally to the researchers considering various aspects of nanoscience. The broader impact of the proposed work resides in providing new insights into the emerging field of complex and multi-component nanoparticle synthesis with enhanced functionality. The proposed work is expected to have an impact on a number of applications. Examples include metal-particle based plasmonic structures for enhanced solar cells and waveguides, where it is of interest to have a substrate covered by ordered arrays of metallic nanoparticles. The proposal also includes the development of software that will be available to researchers in the community, and educational activities for graduate and undergraduate students.