Abstract
Four different [001] twist boundaries in Cu3Au spanning a wide range of the rotation angle are investigated for temperatures below the bulk order-disorder transition temperature. All the boundaries show almost identical behavior for the plane averaged stoichiometry and the order parameter at a given temperature. Within the accuracy of the calculations no segregation of either Cu or Au is observed to the boundary. At the boundary and below the transition temperature there is a layer which is more disordered than the rest of the crystal, and its width increases as the bulk order-disorder transition temperature is approached. This indicates wetting phenomena, which are in agreement with the experimental and theoretical results on other boundaries.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
