MSpace will be unavailable on Sunday Jan 29, 2023 between the times of 8:00AM CST and 12:00PM CST. Please plan your submissions accordingly.

Show simple item record

dc.contributor.supervisorWang, Quan (Mechanical and Manufacturing Engineering)en_US
dc.contributor.authorArash, Behrouz
dc.description.abstractThe main objective of the research is to study the potential application of carbon nanotubes and graphene sheets as nano-resonator sensors in the detection of atoms/molecules with vibration and wave propagation analyses. It is also aimed to develop and examine new methods in the design of nano-resonator sensors for differentiating distinct gas atoms and different macromolecules, such as DNA molecules. The hypothesis in the detection techniques is that atoms or molecules attached on the surface of the nano-resonator sensors would induce a recognizable shift in the resonant frequency of or wave velocity in the sensors. With this regard, a sensitivity index based on the shift in resonant frequency of the sensors in the vibration analysis and/or a shift in wave velocity in the sensors in the wave propagation analysis is defined and examined. In order to achieve the objective, the vibration characteristics of carbon nanotubes and graphenes are studied using molecular dynamics simulations to first propose nano-resonator sensors, which are able to differentiate distinct gas atoms with high enough resolutions even at low concentration. It is also indicated that the nano-resonator sensors are effective devices to identify different genes even with the same number of nucleobases in the structure of single-strand DNA macromolecules. The effect of various parameters such as size and restrained boundary conditions of the sensors, the position of attached atoms/molecules being detected, and environment temperature on the sensitivity of the sensors is investigated in detail. Following the studies on vibration-based sensors, the wave propagation analysis in carbon nanotubes and graphene sheets is first investigated by using molecular dynamics simulations to design nano-resonator sensors. Moreover, a nonlocal finite element model is presented and calibrated for the first time to model propagation of mechanical waves in graphene sensors attached with atoms through a verification process with atomistic results. The simulation results reveal that the nano-resonator sensors are able to successfully detect distinct types of noble gases with the same mass density or at the same environmental condition of temperature and pressure.en_US
dc.subjectNano-resonator sensorsen_US
dc.subjectCarbon nanotubesen_US
dc.subjectGraphene sheetsen_US
dc.subjectWave propagationen_US
dc.subjectMolecular dynamicsen_US
dc.subjectNonlocal continuum theoryen_US
dc.titleMolecular dynamics studies on application of carbon nanotubes and graphene sheets as nano-resonator sensorsen_US
dc.typedoctoral thesisen_US and Manufacturing Engineeringen_US
dc.contributor.examiningcommitteeLuo, Yunhua (Mechanical and Manufacturing Engineering) Cai, Jun (Electrical and Computer Engineering) Chen, Zengtao (Mechanical Engineering, the University of New Brunswick)en_US of Philosophy (Ph.D.)en_US
dc.description.noteFebruary 2014en_US

Files in this item


This item appears in the following Collection(s)

Show simple item record