论文标题
BTE-BARNA：基于2D材料的设备热模拟Almabte的扩展
BTE-Barna: An extension of almaBTE for thermal simulation of devices based on 2D materials
论文作者
论文摘要
我们提出了BTE-BARNA（Boltzmann传输方程 - 纳米系统的RTA之外），该软件包扩展了Peierls-Boltzmann传输方程的Almabte solver的蒙特卡洛（MC）模块，用于与纳米系统一起使用基于2D材料的纳米系统来使用复杂的地球材料。为了正确捕获由于散射而在动量空间中如何演变的，我们通过实现了PBTE的完整线性化版本的传播器来补充放松时间近似。现在，该代码可以在热梯度的效果下，具有等温储层的效果或时间和时间的任意初始温度分布，写出温度和热通量分布及其光谱分解，以找到有限和扩展设备的解决方案。除了完整的偏差MC求解器外，还包括许多高度对称设备的有用近似值。
We present BTE-Barna (Boltzmann Transport Equation - Beyond the Rta for NAnosystems), a software package that extends the Monte Carlo (MC) module of the almaBTE solver of the Peierls-Boltzmann transport equation for phonons (PBTE) to work with nanosystems based on 2D materials with complex geometries. To properly capture how the phonon occupations evolve in momentum space as a result of scattering, we have supplemented the relaxation-time approximation with an implementation of the propagator for the full linearized version of the PBTE. The code can now find solutions for finite and extended devices under the effect of a thermal gradient, with isothermal reservoirs or with an arbitrary initial temperature distribution in space and time, writing out the temperature and heat flux distributions as well as their spectral decompositions. Besides the full deviational MC solver, a number of useful approximations for highly symmetric devices are also included.
