Abstract

We introduce a model to study a symmetric nanocontact, whereby its mechanical properties can be analyzed via the vibration spectra. The model system consists of two groups of triple semi-infinite atomic chains joined by atoms in between. The matching method theoretical approach is used to calculate the coherent reflection and transmission scattering probabilities, the characteristic vibration Green functions and densities of states (DOS), for the vibration components of the individual atomic sites that constitute a complete representation of the nanocontact domain boundaries. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the nanocontact domain. The analysis of the vibration spectra and the DOS demonstrate the fluctuations, related to Fano resonances, due to the coherent coupling between traveling phonons and the localized vibration modes in the nanocontact domain.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.