This 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.
