Abstract
An ab initio molecular dynamics simulated quenching approach is used to study the properties of a (001) twist grain boundary in the Sigma =5 system in germanium. Interfacial total energies are mapped out over the entire range of possible relative in-plane translation states of the boundary. The analysis leads to predictions of the equilibrium translation state, the geometric structure, effective local volume and formation energy associated with this internal interface.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
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.