MCBTE：声子线性化玻尔兹曼输运方程的方差约化蒙特卡罗解
MCBTE: A variance-reduced Monte Carlo solution of the linearized Boltzmann transport equation for phonons
摘要：
MCBTE解决了线性化玻尔兹曼输运方程的声子在三维空间中使用方差减少蒙特卡罗解决方案的方法。该算法适用于瞬态和稳态分析的热传输结构材料的尺寸特征在纳米到数百微米的范围。该代码是便携式的，并集成了第一性原理密度泛函理论计算和经验关系的声子频率，群速度和平均自由程计算所需的热性能的输入。该程序输出空间和时间分辨的温度和热通量的瞬态研究。对于稳态模拟，声子对温度和热通量的频率分辨贡献被写入输出文件，从而允许研究累积热导率作为声子频率或平均自由程的函数。我们提供了几个说明性的例子，包括弹道和准弹道热输运，薄膜和周期性纳米结构的热导率，以展示功能，并根据文献中可用的理论/分析/计算结果对我们的代码进行基准测试。此外，我们使用Matlab分布式计算服务器并行化的代码，提供近线性缩放的处理器的数量。
英文摘要：
MCBTE solves the linearized Boltzmann transport equation for phonons in three dimensions using a variance-reduced Monte Carlo solution approach. The algorithm is suited for both transient and steady-state analysis of thermal transport in structured materials with size features in the nanometer to hundreds of microns range. The code is portable and integrated with both first-principles density functional theory calculations and empirical relations for the input of phonon frequency, group velocity, and mean free path required for calculating the thermal properties. The program outputs space- and time-resolved temperature and heat flux for the transient study. For the steady-state simulations, the frequency-resolved contribution of phonons to temperature and heat flux is written to the output files, thus allowing the study of cumulative thermal conductivity as a function of phonon frequency or mean free path. We provide several illustrative examples, including ballistic and quasi-ballistic thermal transport, the thermal conductivity of thin films and periodic nanostructures, to demonstrate the functionality and to benchmark our code against available theoretical/analytical/computational results from the literature. Moreover, we parallelize the code using the Matlab Distributed Computing Server, providing near-linear scaling with the number of processors.
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