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

合作研究：纳米级液态金属系统自组装和定向组装的计算、建模和实验

• 批准号: 1604351
• 负责人: Lou Kondic
• 金额: $ 21.4万
• 依托单位: New Jersey Institute of Technology
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-07-01 至 2021-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1604351&HistoricalAwards=false
• 关键词: Collaborative; Research; Computations; Modeling; Experiments

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.

PI：Kondic、Lou / Rack、Phillip D。提案编号：1604351 / 1603780 拟议研究的目标是通过模拟、建模和实验的综合方法研究纳米级液态金属滴在表面上的行为。以受控方式将这种纳米滴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，这些表面可用于微电子设备、太阳能电池板、光谱学甚至癌症的辐射治疗。这项工作探索了竞争性毛细管、粘性和纳米级液态金属丝的塌陷与破裂中的惯性力、液态金属-基底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特性施加。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这一新兴领域提供了新的见解。这项拟议工作中提出的研究工作重点是开发直接数值方法，结合有针对性的实验来求解完全 3D 纳维-斯托克斯方程。具体来说，将基于多材料流体体积方法开发精确的数值方法，还结合三联点和移动接触线以及描述液固相互作用的势。为了挑战计算，物理实验旨在询问各种金属/合金基体组合，这将探测相关的流体动力学和化学不稳定性。该项目的一个显着特点是数值结果与实验结果的立即和直接比较。理论、计算和实验工作将相互驱动，理论预测直接通过实验进行检验，随后这些实验将用于对纳米级液态金属的不稳定性和输运进行更准确的理论描述。这项研究的结果将引起探索实验和计算流体动力学的广泛社区的兴趣，更广泛地引起考虑纳米科学各个方面的研究人员的兴趣。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这一新兴领域提供新的见解。拟议的工作预计将对许多应用产生影响。例子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，其中令人感兴趣的是用有序的金属纳米颗粒阵列覆盖基板。该提案还包括开发可供社区研究人员使用的软件，以及研究生和本科生的教育活动。

项目成果

Simultaneous Decomposition and Dewetting of Nanoscale Alloys: A Comparison of Experiment and Theory

纳米合金的同时分解和去湿：实验与理论的比较

• DOI: 10.1021/acs.langmuir.0c02964
• 发表时间: 2021-03
• 期刊: Langmuir
• 影响因子: 3.9
• 作者: Diez, Javier A.;González, Alejandro G.;Garfinkel, David A.;Rack, Philip D.;McKeown, Joseph T.;Kondic, Lou
• 通讯作者: Kondic, Lou