About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
|
Mesoscale Phenomena in Functional Polycrystals and Nanostructures
|
| Presentation Title |
Berry Phase Polarization Calculation of Carbon Nanotubes: Toward Non-Destructive Testing and Monitoring |
| Author(s) |
Ala Nawaf Alotaibi |
| On-Site Speaker (Planned) |
Ala Nawaf Alotaibi |
| Abstract Scope |
Embedded carbon nanotubes (CNTs) that are interrogated by microwave imaging methods may provide valuable information about the development of defects in vital infrastructure and will therefore be useful as part of a non-destructive testing/monitoring regime. However, because the CNT dielectric properties are influenced by their atomic structural features, predicting the microwave frequency dielectric properties depends on having an ability to compute the induced polarization. In this presentation, I will discuss the implementation of the Berry phase calculation method within the density functional theory based orthogonalized linear combination of atomic orbitals (OLCAO) method along with progress toward applying the method to CNT models. This method is useful because of its inherent ability to permit decomposition of the contributions to the polarization from different elements or sub-units of the material. |