By performing isobaric-isothermal molecular dynamics simulations for Ti we
have obtained the result that the `modified embedded atom method'
potential creates stable structures different from the hcp structure, with a
non-ideal c/a ratio that is experimentally stable. The hcp-to-bcc
transformation at high temperature is reproduced. However, attempts
to make the hcp structure the ground state structure, by
adjusting the many-body screening function or by taking the
second-nearest neighbour interactions into account, have been unsuccessful. Structural
stabilities of other hcp metals have also been examined.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.