Abstract
Molecular dynamics simulations have been carried out with respect to the structural features of BaB 2 0 4 liquids prepared from the a and /3 phases. The simulated interference functions of each liquid are in fairly good agreement with recent experimental results. There were found several noticeable features in simulated liquids with regard to the time variations of density and structures. Memories of the original crystal structures are found in the liquid from the/3 phase with respect to the periodicity of the atomic configuration of (3030), but such a feature is less evident in the liquid from the a phase. A difference between the two liquids is also noticed in the ring structure formed by B-O bonding, in that the number of (-B-O-)5 rings increases only in the liquid obtained from the/3 phase.
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.
