Abstract

Parallel tempering Monte Carlo and multihistogram methods are combined to study the phase changes of the water octamer. The heat capacity is calculated continuously from very low temperatures up to T=230 K. We find the melting temperature to be 178.5 K. In addition, a solid–solid phase change is found at 12 K. We introduce an order parameter to monitor this low temperature phase change.

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.