Theory and modeling of electro-thermal transport in nanoscale materials and devices

纳米材料和器件中电热传输的理论和建模

• 批准号: RGPIN-2016-04881
• 负责人: Maassen, Jesse
• 金额: $ 1.97万
• 依托单位: Dalhousie University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=615357
• 关键词: Theory; modeling; electro; thermal; transport

Semiconductor electronics has shaped our world. The downscaling of device dimensions that made this possible not only presented enormous technological challenges, it also raised many fundamental questions. Over time a deep understanding of electron transport at the nanoscale has been developed, along with the computational tools to accurately capture the relevant physics. Electron transport cannot, in principle, be separated from phonon (thermal) transport. The physics of coupled electron-phonon transport is responsible for self-heating in nanoscale devices, which critically limits their performance and reliability, and for providing a route for enhanced thermoelectric energy conversion in nanostructures. These and other challenges have far-reaching implications for energy and 21st century electronics. Further progress will require a deeper understanding of thermal transport at the nanoscale, along with the development of new computational tools that treat electrons and phonons on equal footing, address challenges from the nano- to macro-scale, and that are tightly connected to predictive first principles materials modeling. The mission of this research program is to advance the science and engineering of electro-thermal transport in nanoscale materials and devices, through innovative theory and modeling. Specific research thrusts include: 1) Investigating out-of-equilibrium electron-phonon transport/interaction at the nanoscale, such as self-heating in nanodevices, phonon transport on the nanoscale, and non-linear thermoelectric conversion. 2) Exploring 2D materials and devices with unique properties beyond the scope of traditional materials. 3) Developing state-of-the-art ab initio quantum theoretical modeling that predicts the electro-thermal transport characteristics of materials and devices, spans the atoms-to-devices hierarchy, and addresses a broader class of problems beyond the scope of current techniques. This program will provide insights into the physics of coupled electron-phonon transport, where nonequilibrium phenomena on the nanoscale can arise. The development of innovative first principles multi-physics simulation tools will help explore emerging materials and devices, explain experiments, and accelerate innovation. Our research findings will address important challenges, enabling higher-performance and lower-power electronics, advanced thermoelectrics for efficient energy harvesting and solid-state cooling, and emerging applications for 2D materials. This program will benefit technologies used in the electronics, energy, communications, automotive and aerospace industries, where the interplay between electrons and phonons is important.

半导体电子已经塑造了我们的世界。设备尺寸的降低缩放，这使这不仅提出了巨大的技术挑战，还提出了许多基本问题。随着时间的流逝，对纳米级电子传输的深刻了解以及计算工具可以准确捕获相关的物理学。电子传输原则上不能与声子（热）传输分开。耦合电子传输的物理学负责在纳米级设备中进行自加热，从而严重限制了其性能和可靠性，并为增强纳米结构中热电学转化的途径提供了途径。这些挑战和其他挑战对能源和21世纪电子具有深远的影响。进一步的进步将需要更深入地了解纳米级的热运输，以及开发新的计算工具，这些计算工具以相等的基础处理电子和声子，解决从纳米尺度到宏观尺度的挑战，并且与预测性的第一原理材料建模密切相关。 该研究计划的使命是通过创新的理论和建模来推进纳米级材料和设备中电流运输的科学和工程。特定的研究推力包括：1）研究纳米级的量平衡电子传输/相互作用，例如在纳米仪中进行自加热，纳米级上的声子传输以及非线性热电转换。 2）探索具有传统材料范围之外的独特特性的2D材料和设备。 3）开发最新的量子量子理论建模，以预测材料和设备的电热运输特征，跨越原子到设备的层次结构，并解决了超出当前技术范围的更广泛的问题。 该程序将提供有关耦合电子传输物理学的见解，纳米级可能会出现非平衡现象。创新的第一原理多物理模拟工具的开发将有助于探索新兴的材料和设备，解释实验并加速创新。我们的研究发现将解决重要的挑战，实现高性能和低功率电子设备，高级热电学以进行有效的能量收集和固态冷却以及2D材料的新兴应用。该计划将使电子，能源，通信，汽车和航空航天行业中使用的技术有益，在这些技术中，电子与声子之间的相互作用很重要。