Interface Resistance and Thermal Transport in Nano-Scale Confined Liquids

该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。纳米技术和纳米流体学的进步需要理解被限制在纳米级外壳或通道中的液体的质量、动量和能量传输。具体来说，需要(a)对现实和技术相关的液固界面的界面（Kapitza）阻力的基本理解和建模，以及(b)确定涉及纳米级受限液体的热传输应用的连续介质假设的局限性。智力优势：研究纳米级受限液体中的界面阻力和热输运，目标如下：(a)表征水-硅、水-石墨、水-铝（亲水）和水-金（疏水）界面的液-固界面阻力和Kapitza长度；(b)开发上述水-表面对的现象学Kapitza长度模型，并使用文献中可用的实验数据验证模型；(c)探索水填充纳米通道中连续介质假设的有效性范围。该研究将包括开发计算效率高、相互作用的热壁模型，用于纳米尺度传热和界面热阻的分子动力学模拟。还将研究纳米流体在纳米尺度受限几何中流动的温度跳变边界条件。更广泛的影响：研究成果将通过演讲、会议和期刊出版物传播。分子动力学模型和代码将通过我们的网站提供给公众，用户是？手册。这项研究将支持PIs机构在微纳米流体学方面的新博士学位的发展。

0931988BeskokThis award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).Advancements in nanotechnology and nanofluidics require an understanding of mass, momentum and energy transport in liquids confined in nanoscale enclosures or channels. Specifically, there exists a need for (a) fundamental understanding and modeling of the interface (Kapitza) resistances for realistic and technologically relevant liquid-solid interfaces and (b) determination of the limitations of continuum hypotheses for thermal transport applications involving nanoscale-confined liquids. Intellectual Merit: The interface resistance and thermal transport in nanoscale-confined liquids will be investigated with the following objectives: (a) characterization of the liquid-solid interface resistances and Kapitza lengths for water-silicon, water-graphite, water-aluminum (hydrophilic) and water-gold (hydrophobic) interfaces, (b) development of phenomenological Kapitza length models for the aforementioned water-surface pairs, and model validation using experimental data available in the literature, and (c) exploration of the ranges of validity of the continuum hypothesis in water-filled nanochannels. The research will include development of computationally efficient, interactive thermal wall models for molecular dynamics simulations of nanoscale heat transfer and interface thermal resistances. Also investigated will be the temperature jump boundary conditions for nanofluid flow in nanoscale-confined geometries.Broader Impact: Research results will be disseminated through presentations, conference and journal publications. The molecular dynamics model and code will be made available to the public through our web-site with a users? manual. This research will support the development of a new Ph.D. track in micro- and nanofluidics in the PIs institution.