CAREER: Multiscale Thermomechanical Analysis of Nanomaterials and Nanostructures

0955096Li这个职业项目寻求开发一种分析多尺度热机械纳米材料和结构的理论和方法。许多超小型设备的运行都涉及到很强的热机械相互作用。然而，现有的连续体模型和原子论模型之间存在差距。对于这类系统的系统分析，没有准确和有效的计算工具。本研究旨在通过引入新的热力学模型来填补这一空白，从而在连续统理论和原子论理论之间架起一座桥梁。将开发用于分析和优化纳米热机械系统的计算工具。智力优势：将建立描述原子水平上的热机械相互作用的数学模型和具有更高抽象水平的准连续介质理论。将发展一种结合热力学模型的多尺度计算方法。将对纳米谐振器、原子力显微镜加热器和复合材料进行计算分析，以解决这些器件和材料中的一系列重要技术问题，如散热、热管理和表面效应。此外，还将探索材料热传输的机械设计概念。广泛的影响：拟议的研究将提供理论和计算模型，弥合纯原子论模型和连续介质模型之间的差距。研究成果将解决纳米尺度热机械相互作用的基本问题。项目成果将通过技术出版物传播。将向热运输和机械界提供与该项目相结合开发的软件工具。此外，PI将建立一个门户网站，并通过模拟学习和发现，与K-12、本科生和研究生进行外联。

0955096LiThis CAREER project seeks to develop a theory and methodology for analysis of multiscale thermomechanical nanomaterials and structures. The operation of many ultrasmall devices involves strong thermomechanical interactions. However, a gap exists between the existing continuum and atomistic models. Accurate and efficient computational tools are not available for systematic analysis of such systems. This research aims to fill this gap by introducing novel thermomechanical models to bridge the continuum and atomistic theories. Computational tools will be developed for analysis and optimization of nano -thermomechanical systems.Intellectual Merit: A mathematical model describing the thermomechanical interactions on the atomistic level and a quasi-continuum theory with a higher level of abstraction will be established. A multiscale computational approach, combining the thermomechanical models will be developed. Computational analysis of nanoscale resonators, atomic force microscope heaters and composite materials will be conducted to address a set of technologically important issues such as thermal dissipation, thermal management and surface effects in these devices and materials. In addition, a concept of mechanical design of thermal transport in materials is to be explored.Broader Impacts: The proposed research will provide theoretical and computational models that bridge the gap between pure atomistic and continuum models. Research results will address the fundamental issues of nanoscale thermomechanical interactions. Project outcomes will be disseminated through technical publications. Software tools developed in conjunction with this project will be made available to the thermal transport and mechanics communities. In addition, the PI will establish a web portal and engage in outreach with K-12, undergraduate and graduate students through simulation-based learning and discovery.