Collaborative Research: ITR/AP - An Integrated Algorithm for Heat Conduction from Nano- to Macroscale

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The goal of our project is to develop a novel integrated engineering simulation tool for heat conduction in microelectronic and microphotonic components - microscale systems with nanoscale features. The global impact of this work will be to quantify, tabulate and disseminate phonon properties, which are as important for heat conduction in these devices as properties such as emissivity and extinction coefficient for thermal radiation in the classical regime. Novel molecular dynamics (MD) simulations will be used to quantify and parameterize phonon relaxation times and phonon-interface phenomena. Given the phonon data obtained through MD simulations, a new ballistic-diffusive formulation of the Boltzmann equation will enable the solution of realistically complex thermal problems from nano- to macroscales. A modular design of our implementation will facilitate an eventual integration into design software.The results from the projects will be applied for the development of Information technology systems. These are constructed from devices and components with characteristic length scales ranging from nanometers to micrometers, such as semiconductor lasers and heterojunction bipolar transistors used in telecommunication systems. Currently, the thermal design of such micro- and nanoscale components is major challenge because Fourier's law fails at these scales due to the long mean free path of phonons (the dominant heat carriers in most semiconductor devices) and there exists no practical alternative.Revised Title: ITR: Collaborative Research on the Development of an Integrated Algorithm for Heat Conduction form Nano- to Macroscale