QMHP: Multiscale Analysis of Coupled Electrical, Mechanical Systems at Nanoscale

这项研究的目的是利用纳米材料独特的电学和机械性能，开发具有前所未有的灵敏度，效率和功能的新型传感器，能量转换器件和集成系统。该方法是开发先进的计算工具，以无缝集成从量子到芯片级的电气和机械物理现象，并利用这些计算工具不仅了解耦合的电气和机械现象的基本方面，而且还能够快速计算各种设备和系统的原型。智力MeritProposed研究的重点是从根本上新的多尺度方法的发展，其中物理理论占量子效应，纳米电气和机械行为，并在同质性材料将被开发。多尺度计算工具将提供独特的物理洞察力的电气和机械性能及其耦合，并使创新的电驱动纳米机电传感器，设备和系统的发展。建议的多尺度方法有可能是许多数量级的速度比现有的量子和原子的方法设计的耦合机电systems.Broader ImpactProposed研究的发展新的纳米机电系统有可能革命性的传感器，计算机，能源和医疗保健部门有创造新的产业，经济和影响普通人在社会中。拟议的研究将教育研究生和本科生在计算纳米技术的跨学科领域。将开发侧重于纳米机电系统和多尺度计算方法基本原理的教育模块，并在网上提供。

The objective of this research is exploit unique electrical and mechanical properties of materials at the nanoscale to develop novel sensors, energy-conversion devices and integrated systems with unprecedented sensitivity, efficiency and functionality. The approach is to develop advanced computational tools to seamlessly integrate electrical and mechanical physical phenomena ranging from the quantum to the chip-scale, and to employ these computational tools to not only understand fundamental aspects of coupled electrical and mechanical phenomena but also to enable rapid computational prototyping of a variety of devices and systems. Intellectual MeritProposed research focuses on the development of fundamentally new multiscale approaches where physical theories accounting for quantum effects, nanoscopic electrical and mechanical behavior, and material in homogeneities will be developed. The multiscale computational tools will provide unique physical insights into electrical and mechanical properties and their coupling and enable development of innovative electrically-actuated nanoelectromechanical sensors, devices and systems. The proposed multiscale approaches have the potential to be many orders of magnitude faster than existing quantum and atomistic approaches for design of coupled electromechanical systems.Broader ImpactProposed research on the development of novel nanoelectromechanical systems has the potential to revolutionize sensor, computer, energy and health care sectors there by creating new industry, economy and impacting the common person in the society. Proposed research will educate graduate and undergraduate students in the interdisciplinary area of computational nanotechnology. Educational modules focusing on fundamentals of nanoelectromechanical systems and multiscale computational methods will be developed and made available on the web.