Virtual design and analysis of nanometer-scale sensor and device components

Four examples of the application of atomistic modeling to the design and analysis of nanometer-scale device components and sensors are discussed. In the first two examples, semiempirical tight-binding electronic structure calculations are used to characterise the electronic properties of uniaxially-strained and chemically-decorated carbon nanotubules. The results are used to suggest possible designs for nanometer-scale strain gauges, vibration sensors, and Schottky diodes. In the second two examples, that are based on variations of scanning-probe microscopy, atomistic simulations are used to explore whether atomic-force microscopy can be used as a probe of surface stress distributions surrounding nanostructures, and whether chemically-reactive tips can be used to pattern surfaces.