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首页> 外文期刊>Journal of Heat Transfer >Simulation of Phonon Transport in Semiconductors Using a Population-Dependent Many-Body Cellular Monte Carlo Approach
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Simulation of Phonon Transport in Semiconductors Using a Population-Dependent Many-Body Cellular Monte Carlo Approach

机译：使用人口相关的多体细胞蒙特卡洛方法模拟半导体中的声子传输

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摘要

A Monte Carlo rejection technique for numerically solving the complete, nonlinear phonon Boltzmann transport equation (BTE) is presented in this work, including three particles interactions. The technique has been developed to explicitly model population-dependent scattering within a full-band cellular Monte Carlo (CMC) framework, to simulate phonon transport in semiconductors, while ensuring conservation of energy and momentum for each scattering event within gridding error. The scattering algorithm directly solves the many-body problem accounting for the instantaneous distribution of the phonons. Our general approach is capable of simulating any nonequilibrium phase space distribution of phonons using the full phonon dispersion without the need of approximations used in previous Monte Carlo simulations. In particular, no assumptions are made on the dominant modes responsible for anharmonic decay, while normal and umklapp scattering are treated on the same footing. In this work, we discuss details of the algorithmic implementation of both the three-particle scattering for the treatment of the anharmonic interactions between phonons, as well as treating isotope and impurity scattering within the same framework. The simulation code was validated by comparison with both analytical and experimental results; in particular, the simulation results show close agreement with a wide range of experimental data such as thermal conductivity as function of the isotopic composition, the temperature, and the thin-film thickness.
机译：这项工作提出了一种蒙特卡罗排斥技术，用于数值求解完整的非线性声子玻尔兹曼输运方程（BTE），包括三个粒子相互作用。该技术已经开发出来，可以在全频带蜂窝蒙特卡洛（CMC）框架内显式建模依赖种群的散射，以模拟半导体中的声子传输，同时确保在网格误差范围内为每个散射事件保留能量和动量。散射算法直接解决了声子瞬时分布的多体问题。我们的通用方法能够使用完整的声子色散来模拟声子的任何非平衡相空间分布，而无需在先前的蒙特卡洛模拟中使用近似值。特别是，没有对造成非谐衰减的主导模态做出任何假设，而法线和umklapp散射在相同的基础上进行处理。在这项工作中，我们讨论了三粒子散射的算法实现细节，该算法用于处理声子之间的非谐相互作用以及在同一框架内处理同位素和杂质散射。通过与分析和实验结果进行比较，验证了仿真代码；尤其是，模拟结果显示出与各种实验数据（如热导率随同位素组成，温度和薄膜厚度的变化）紧密一致。

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  • 来源
    《Journal of Heat Transfer》 |2017年第3期|49-58|共10页
  • 作者

    Flavio F. M. Sabatti; Stephen M. Goodnick; Marco Saraniti;

  • 作者单位

    School of Electrical, Computer and Energy Engineering, Arizona State University, Tempe, AZ 85287-5706;

    School of Electrical, Computer and Energy Engineering, Arizona State University, Tempe, AZ 85287-5706;

    School of Electrical, Computer and Energy Engineering, Arizona State University, Tempe, AZ 85287-5706;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
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