SBIR Phase I: Heat Conduction in Thin Films: Modeling and Experiments

这项小型企业创新研究（SBIR）的第一阶段旨在开发一个多维蒙特卡罗模型来模拟薄膜中的微尺度传热。提出的研究将开发一个多维蒙特卡罗模型来解决玻尔兹曼输运方程（BTE），其中包括所有可能的声子散射机制和适当的非线性色散关系，用于声子态密度的频率相关群速度。作为研究的一部分，将对具有已知色散关系的单晶材料进行模拟。该模型将部分根据现有的实验数据进行验证，部分根据分包合同在加州大学伯克利分校（UCB）进行的实验进行验证。第二阶段的研究将扩展模型以研究单晶超晶格结构，并将重点放在将微尺度模型集成到现有的商业软件CFD-ACE+中，以实现微电子和MEMS器件的传热模拟。提出的研究将产生一个计算工具，以帮助设计和制造使用电介质和半导体材料薄膜的IC和MEMS器件。该仿真工具将使设备设计具有最佳的热性能（和更高的可靠性），从而减少由于传热不良导致的潜在设备/系统故障。

This Small Business Innovation Research (SBIR) Phase I is aimed at developing a multi-dimensional Monte Carlo model to simulate micro-scale heat transfer in thin films. The proposed study will develop a multi-dimensional Monte Carlo model for the solution of the Boltzmann Transport Equation (BTE) with the inclusion of all possible phonon scattering mechanisms and appropriate nonlinear dispersion relationships for frequency-dependent group velocity for phonon density of states. As part of the study, simulations will be performed for single crystal materials with known dispersion relationships. The model will be validated in part against available experimental data and in part against experiments conducted at the University of California at Berkeley (UCB) under a sub-contract. The Phase II study will extend the model to study single crystal superlattice structures and will focus on integrating the micro-scale models into an existing commercial software, CFD-ACE+, to enable simulation of heat transfer in microelectronic and MEMS devices.The proposed study will result in a computational tool to aid in the design and fabrication of IC and MEMS devices that use thin films of dielectric and semiconductor materials. The simulation tool will enable the design of devices with optimal thermal performance (and increased reliability) and thus reduce potential device/system failures resulting from poor heat transfer.