Coupled Multiphysics Modelling of Sensors for Chemical, Biomedical, and Environmental Applications with Focus on Smart Materials and Low-Dimensional Nanostructures

Abstract

Low-dimensional nanostructures have many advantages when used in sensors compared to the traditional bulk materials, in particular in their sensitivity and specificity. In such nanostructures, the motion of carriers can be confined from one, two, or all three spatial dimensions, leading to their unique properties. New advancements in nanosensors, based on low-dimensional nanostructures, permit their functioning at scales comparable with biological processes and natural systems, allowing their efficient functionalization with chemical and biological molecules. In this article, we provide details of such sensors, focusing on their several important classes, as well as the issues of their designs based on mathematical and computational models covering a range of scales. Such multiscale models require state-of-the-art techniques for their solutions, and we provide an overview of the associated numerical methodologies and approaches in this context. We emphasize the importance of accounting for coupling between different physical fields such as thermal, electromechanical, and magnetic, as well as of additional nonlinear and nonlocal effects which can be salient features of new applications and sensor designs. Our special attention is given to nanowires and nanotubes which are well suited for nanosensor designs and applications, being able to carry a double functionality, as transducers and the media to transmit the signal. One of the key properties of these nanostructures is an enhancement in sensitivity resulting from their high surface-to-volume ratio, which leads to their geometry-dependant properties. This dependency requires careful consideration at the modelling stage, and we provide further details on this issue. Another important class of sensors analyzed here is pertinent to sensor and actuator technologies based on smart materials. The modelling of such materials in their dynamics-enabled applications represents a significant challenge as we have to deal with strongly nonlinear coupled problems, accounting for dynamic interactions between different physical fields and microstructure evolution. Among other classes, important in novel sensor applications, we have given our special attention to heterostructures and nucleic acid based nanostructures. In terms of the application areas, we have focused on chemical and biomedical fields, as well as on green energy and environmentally-friendly technologies where the efficient designs and opportune deployments of sensors are both urgent and compelling.